Geometry & MOs

Info

ID:	408222
PubChem CID:	135080984
Reduced:	NOC13H19 (1)
Stoich.:	ABC13D19 (1)
Weight, g/mol:	187.084458
ΔH_f, kcal/mol:	-42.88
Dipole, Da:	4.39
IP(EA), eV:	-9.53(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	-2

Chem-info

IUPAC name:

2-methyl-3-(propylamino)butanedioate

Drug info:

PubChemData

Smile

CC[C@@H](CCC(=O)C1=CC=C(C=C1)C)N

DOS

IR

Vibrations