Geometry & MOs

Info

ID:	199644
PubChem CID:	79276174
Reduced:	N3O4C12H19 (1)
Stoich.:	A3B4C12D19 (1)
Weight, g/mol:	242.163043
ΔH_f, kcal/mol:	-160.26
Dipole, Da:	6.41
IP(EA), eV:	-9.53(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[methyl(3-methylbutyl)carbamoyl]-prop-2-enylamino]acetic acid

Drug info:

PubChemData

Smile

CC(=O)N1CCN(CC1)C(=O)N(CC=C)CC(=O)O

DOS

IR

Vibrations