Geometry & MOs

Info

ID:	387374
PubChem CID:	134985135
Reduced:	NO5C13H23 (1)
Stoich.:	AB5C13D23 (1)
Weight, g/mol:	328.121178
ΔH_f, kcal/mol:	-177.14
Dipole, Da:	2.84
IP(EA), eV:	-10.46(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-nitro-2,3,3-triphenylpropanenitrile

Drug info:

PubChemData

Smile

CCCC(C(CC)C[N+](=O)[O-])(C(=O)C)C(=O)OCC

DOS

IR

Vibrations