Geometry & MOs

Info

ID:	27795
PubChem CID:	823610
Reduced:	ClN3O3H8C14 (1)
Stoich.:	AB3C3D8E14 (1)
Weight, g/mol:	190.074228
ΔH_f, kcal/mol:	31.87
Dipole, Da:	4.38
IP(EA), eV:	-9.69(-1.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-2-(4-nitrophenyl)propanenitrile

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C#N)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

DOS

IR

Vibrations