Geometry & MOs

Info

ID:	183211
PubChem CID:	76992085
Reduced:	NO4C12H19 (1)
Stoich.:	AB4C12D19 (1)
Weight, g/mol:	298.189257
ΔH_f, kcal/mol:	-181.56
Dipole, Da:	4.82
IP(EA), eV:	-9.71(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[ethyl(2-ethylbutyl)carbamoyl]amino]-2,3-dimethyl-4-oxobut-2-enoic acid

Drug info:

PubChemData

Smile

CC(=C(C)C(=O)O)C(=O)NC1CCCC1OC

DOS

IR

Vibrations