Geometry & MOs

Info

ID:	151405
PubChem CID:	53801212
Reduced:	O2H16C17 (1)
Stoich.:	A2B16C17 (1)
Weight, g/mol:	432.20132
ΔH_f, kcal/mol:	-53.28
Dipole, Da:	4.65
IP(EA), eV:	-9.03(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R,3R)-2-benzhydryl-1-azabicyclo[2.2.2]octan-3-yl]-2,3-difluorobenzamide

Drug info:

PubChemData

Smile

CC1C2=CC=CC=C2C3=C1C=C(C=C3)C(C)C(=O)O

DOS

IR

Vibrations