Geometry & MOs

Info

ID:	264868
PubChem CID:	103498954
Reduced:	NOC13H25 (1)
Stoich.:	ABC13D25 (1)
Weight, g/mol:	197.105193
ΔH_f, kcal/mol:	-79.39
Dipole, Da:	2.98
IP(EA), eV:	-8.86(0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dimethyl-4-[methyl(prop-2-ynyl)amino]-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CC(C)C1CCN(CC1)CC(=O)C(C)C

DOS

IR

Vibrations