Geometry & MOs

Info

ID:	13053
PubChem CID:	220389
Reduced:	N4O5H18C19 (1)
Stoich.:	A4B5C18D19 (1)
Weight, g/mol:	382.12772
ΔH_f, kcal/mol:	6.11
Dipole, Da:	3.92
IP(EA), eV:	-10.74(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyano-4-(4-nitrophenyl)-2-[2-(4-nitrophenyl)ethyl]butanamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CCC(CCC2=CC=C(C=C2)[N+](=O)[O-])(C#N)C(=O)N)[N+](=O)[O-]

DOS

IR

Vibrations