Geometry & MOs

Info

ID:	279143
PubChem CID:	103841662
Reduced:	BrClFN2O3H7C13 (1)
Stoich.:	ABCD2E3F7G13 (1)
Weight, g/mol:	366.99747
ΔH_f, kcal/mol:	-39.96
Dipole, Da:	8.37
IP(EA), eV:	-9.74(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C(=O)NC2=CC(=C(C=C2)F)[N+](=O)[O-])Br)Cl

DOS

IR

Vibrations