Geometry & MOs

Info

ID:	197434
PubChem CID:	78965653
Reduced:	O2N5H9C12 (1)
Stoich.:	A2B5C9D12 (1)
Weight, g/mol:	282.95925
ΔH_f, kcal/mol:	94.82
Dipole, Da:	7.04
IP(EA), eV:	-9.53(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-N-(4-cyano-2-nitrophenyl)acetamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C#N)[N+](=O)[O-])NCC2=NC=CN=C2

DOS

IR

Vibrations