Geometry & MOs

Info

ID:	227491
PubChem CID:	87561846
Reduced:	N4O7C12H26 (1)
Stoich.:	A4B7C12D26 (1)
Weight, g/mol:	215.152144
ΔH_f, kcal/mol:	-345.7
Dipole, Da:	8.18
IP(EA), eV:	-10.04(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[(3,3-dimethyl-2-oxobutyl)amino]butanoate

Drug info:

PubChemData

Smile

CC(CN)C(=O)O.CC(CNC(=O)N)C(=O)O.C(CN)C(=O)O

DOS

IR

Vibrations