Geometry & MOs

Info

ID:	213190
PubChem CID:	81063138
Reduced:	ClN2O4C14H17 (1)
Stoich.:	AB2C4D14E17 (1)
Weight, g/mol:	173.105193
ΔH_f, kcal/mol:	-173.92
Dipole, Da:	2.83
IP(EA), eV:	-10.02(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-(propanoylamino)butanoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC(=O)CNC(=O)C1=CC(=CC=C1)Cl

DOS

IR

Vibrations