Geometry & MOs

Info

ID:	213847
PubChem CID:	81065478
Reduced:	ClN2O3C15H21 (1)
Stoich.:	AB2C3D15E21 (1)
Weight, g/mol:	312.12407
ΔH_f, kcal/mol:	-145.58
Dipole, Da:	5.2
IP(EA), eV:	-9.57(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[1-(3-chlorophenyl)ethylcarbamoylamino]methyl]pentanoic acid

Drug info:

PubChemData

Smile

CCC(CC(=O)O)CNC(=O)NC(C)C1=CC=CC=C1Cl

DOS

IR

Vibrations