Geometry & MOs

Info

ID:	43610
PubChem CID:	10321541
Reduced:	O4C29H38 (1)
Stoich.:	A4B29C38 (1)
Weight, g/mol:	450.267114
ΔH_f, kcal/mol:	-169.77
Dipole, Da:	6.03
IP(EA), eV:	-8.62(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,7S)-9-benzhydryl-N-[(2-methoxyphenyl)methyl]-8-azatricyclo[5.3.1.03,8]undecan-10-imine

Drug info:

PubChemData

Smile

C[C@]12CC[C@@H](C(C1CC[C@H](C2)CC3=CC(=CC=C3)C(=O)O)(C)C)OCC4=CC=C(C=C4)OC

DOS

IR

Vibrations