Geometry & MOs

Info

ID:	3396
PubChem CID:	9610
Reduced:	N2O4C7H10 (1)
Stoich.:	A2B4C7D10 (1)
Weight, g/mol:	186.064057
ΔH_f, kcal/mol:	-133.7
Dipole, Da:	3.29
IP(EA), eV:	-9.62(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-aminopropanenitrile;but-2-enedioic acid

Drug info:

PubChemData

Smile

C(CN)C#N.C(=CC(=O)O)C(=O)O

DOS

IR

Vibrations