Geometry & MOs

Info

ID:	199640
PubChem CID:	79275162
Reduced:	N2O3C11H16 (1)
Stoich.:	A2B3C11D16 (1)
Weight, g/mol:	273.111341
ΔH_f, kcal/mol:	-94.97
Dipole, Da:	2.08
IP(EA), eV:	-9.74(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-(3-cyanoanilino)-2-oxoethyl]-prop-2-enylamino]acetic acid

Drug info:

PubChemData

Smile

C#CCN(CC(=O)O)C(=O)C1CCCC1N

DOS

IR

Vibrations