Geometry & MOs

Info

ID:	279223
PubChem CID:	103842160
Reduced:	BrClNO2C16H19 (1)
Stoich.:	ABCD2E16F19 (1)
Weight, g/mol:	367.95633
ΔH_f, kcal/mol:	-90.09
Dipole, Da:	5.58
IP(EA), eV:	-9.56(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-4-chloro-N-[(3-nitrophenyl)methyl]benzamide

Drug info:

PubChemData

Smile

C1CCC2(CCN(CC2C1)C(=O)C3=CC(=C(C=C3)Cl)Br)O

DOS

IR

Vibrations