Geometry & MOs

Info

ID:	151734
PubChem CID:	56310340
Reduced:	NSO2C22H27 (1)
Stoich.:	ABC2D22E27 (1)
Weight, g/mol:	438.07545
ΔH_f, kcal/mol:	-53.85
Dipole, Da:	3.17
IP(EA), eV:	-8.67(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-3-(pyrrolidin-1-ylmethyl)benzamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CC2CCN(CC2)C(=O)C3=CC=C(C=C3)CSC

DOS

IR

Vibrations