Geometry & MOs

Info

ID:	270989
PubChem CID:	103639102
Reduced:	BrFNOH13C16 (1)
Stoich.:	ABCDE13F16 (1)
Weight, g/mol:	348.01095
ΔH_f, kcal/mol:	-29.84
Dipole, Da:	3.81
IP(EA), eV:	-9.24(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-bromo-2-methylphenyl)-3-methyl-4-nitrobenzamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1Br)NC(=O)/C=C/C2=CC=C(C=C2)F

DOS

IR

Vibrations