Geometry & MOs

Info

ID:	52575
PubChem CID:	12015499
Reduced:	NOC21H29 (1)
Stoich.:	ABC21D29 (1)
Weight, g/mol:	451.287515
ΔH_f, kcal/mol:	-26.28
Dipole, Da:	3.24
IP(EA), eV:	-8.57(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,8R,12S,15R,17R)-8-benzhydryl-11,11,15-trimethyl-18-oxa-10-azatetracyclo[8.8.0.02,7.012,17]octadeca-2,4,6-triene

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@@H]2[C@@H](C1)O[C@H]3C4=CC=CC=C4[C@H](CN3C2(C)C)C=C

DOS

IR

Vibrations