Geometry & MOs

Info

ID:	203043
PubChem CID:	79767522
Reduced:	BrN2O2C12H15 (1)
Stoich.:	AB2C2D12E15 (1)
Weight, g/mol:	399.88812
ΔH_f, kcal/mol:	20.97
Dipole, Da:	7.85
IP(EA), eV:	-8.94(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-(4-bromo-3-nitrophenyl)benzamide

Drug info:

PubChemData

Smile

CCC(C1CC1)NC2=CC(=C(C=C2)Br)[N+](=O)[O-]

DOS

IR

Vibrations