Geometry & MOs

Info

ID:	51325
PubChem CID:	12013972
Reduced:	NO3C18H27 (1)
Stoich.:	AB3C18D27 (1)
Weight, g/mol:	455.246044
ΔH_f, kcal/mol:	-75.61
Dipole, Da:	1.58
IP(EA), eV:	-8.18(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S,6S,7R)-4-[(2R,5R)-2,5-bis(phenylmethoxymethyl)pyrrolidin-1-yl]tricyclo[5.2.1.02,6]deca-4,8-dien-3-one

Drug info:

PubChemData

Smile

COC[C@@H]1CC[C@H](N1C2=C[C@@H]3[C@H]4CC[C@H](C4)[C@@H]3C2=O)COC

DOS

IR

Vibrations