14-Benzyl-17-(Cyclopropylmethyl)-3-Hydroxymorphinan-6-One

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Formula C27H31NO2
IUPAC Name (1r,9r,10s)-10-benzyl-17-(cyclopropylmethyl)-4-hydroxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-one
Molecular Mass 401.541 g·mol−1
Heat of Formation -146.0 ± 16.7 kJ·mol−1
Dipole Moment 4.21 ± 1.08 D
Volume 493.44 Å 3
Surface Area 384.81 Å 2
HOMO Energy -8.75 ± 0.55 eV
LUMO Energy 0.10 ± eV
Point Group Symmetry C1
InChIKey NLUNUQJHWWKYNI-ZONZVBGPSA-N
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