Geometry & MOs

Info

ID:	9312
PubChem CID:	87884
Reduced:	NOC2H3 (2)
Stoich.:	ABC2D3 (2)
Weight, g/mol:	114.042927
ΔH_f, kcal/mol:	11.36
Dipole, Da:	4.54
IP(EA), eV:	-11.32(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-2-nitropropanenitrile

Drug info:

PubChemData

Smile

CC(C)(C#N)[N+](=O)[O-]

DOS

IR

Vibrations