Geometry & MOs

Info

ID:	283653
PubChem CID:	103995753
Reduced:	NOC3H5 (4)
Stoich.:	ABC3D5 (4)
Weight, g/mol:	363.9978
ΔH_f, kcal/mol:	-134.83
Dipole, Da:	5.45
IP(EA), eV:	-9.58(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-2-chloro-N-cyclopropyl-N-(pyridin-4-ylmethyl)benzamide

Drug info:

PubChemData

Smile

COCCN(CC(=O)O)C(=O)NCCCN1C=CC=N1

DOS

IR

Vibrations