Geometry & MOs

Info

ID:	199121
PubChem CID:	79201576
Reduced:	ClN2O4C13H17 (1)
Stoich.:	AB2C4D13E17 (1)
Weight, g/mol:	216.147393
ΔH_f, kcal/mol:	-166.37
Dipole, Da:	8.2
IP(EA), eV:	-9.45(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-methyl-3-(methylamino)propanoyl]amino]pentanoic acid

Drug info:

PubChemData

Smile

CC(CNC)C(=O)NC1=C(C=C(C(=C1)OC)C(=O)O)Cl

DOS

IR

Vibrations