Geometry & MOs

Info

ID:	124371
PubChem CID:	50880786
Reduced:	BrNOC7H7 (2)
Stoich.:	ABCD7E7 (2)
Weight, g/mol:	441.97145
ΔH_f, kcal/mol:	-44.5
Dipole, Da:	2.81
IP(EA), eV:	-8.63(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-amino-3,5-dibromo-2-ethyl-6-methylphenyl)-4-methoxybenzamide

Drug info:

PubChemData

Smile

CCC1=C(C(=C(C(=C1NC(=O)C2=CC=CO2)C)Br)N)Br

DOS

IR

Vibrations