Geometry & MOs

Info

ID:	218831
PubChem CID:	85090040
Reduced:	NO6C31H33 (1)
Stoich.:	AB6C31D33 (1)
Weight, g/mol:	515.242021
ΔH_f, kcal/mol:	-199.06
Dipole, Da:	5.95
IP(EA), eV:	-9.18(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dimethoxyphenyl)-4-nitro-N-[2-(2-phenylethyl)-2-azabicyclo[2.2.2]octan-5-yl]benzamide

Drug info:

PubChemData

Smile

CC(C)(C)C(CN(C(CC1=CC=CC=C1)C(=O)O)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C(=O)O

DOS

IR

Vibrations