Geometry & MOs

Info

ID:	387206
PubChem CID:	134984413
Reduced:	NPO7C13H26 (1)
Stoich.:	ABC7D13E26 (1)
Weight, g/mol:	226.131742
ΔH_f, kcal/mol:	-325.73
Dipole, Da:	6.32
IP(EA), eV:	-10.69(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4,4-trimethyl-2-(2-nitropropan-2-yl)-3-oxopentanenitrile

Drug info:

PubChemData

Smile

CCOC(=O)C(C(C[N+](=O)[O-])C(C)C)P(=O)(OCC)OCC

DOS

IR

Vibrations