Geometry & MOs

Info

ID:	199662
PubChem CID:	79279260
Reduced:	N2O4C11H18 (1)
Stoich.:	A2B4C11D18 (1)
Weight, g/mol:	276.147393
ΔH_f, kcal/mol:	-153.96
Dipole, Da:	3.82
IP(EA), eV:	-9.46(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methyl-N-[2-(prop-2-enylamino)acetyl]anilino)propanoic acid

Drug info:

PubChemData

Smile

COC1CC(N(C1)C(=O)CNCC=C)C(=O)O

DOS

IR

Vibrations