Geometry & MOs

Info

ID:	213191
PubChem CID:	81063139
Reduced:	NO3C8H15 (1)
Stoich.:	AB3C8D15 (1)
Weight, g/mol:	187.120843
ΔH_f, kcal/mol:	-158.9
Dipole, Da:	1.97
IP(EA), eV:	-9.9(0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(butanoylamino)-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CCC(=O)NCC(C)CC(=O)O

DOS

IR

Vibrations