Geometry & MOs

Info

ID:	208528
PubChem CID:	80540433
Reduced:	N2O3C12H22 (1)
Stoich.:	A2B3C12D22 (1)
Weight, g/mol:	264.147393
ΔH_f, kcal/mol:	-166.85
Dipole, Da:	5.51
IP(EA), eV:	-9.56(0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-4-[(2-methylphenyl)methylcarbamoylamino]butanoic acid

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)NCCC(C)C(=O)O

DOS

IR

Vibrations