Geometry & MOs

Info

ID:	205566
PubChem CID:	80121140
Reduced:	ClNO2C6H10 (1)
Stoich.:	ABC2D6E10 (1)
Weight, g/mol:	299.220892
ΔH_f, kcal/mol:	-87.6
Dipole, Da:	1.81
IP(EA), eV:	-10.11(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(1-ethylpyrrolidin-2-yl)methylcarbamoylamino]methyl]-4-methylpentanoic acid

Drug info:

PubChemData

Smile

CC(C(=O)NC1COC1)Cl

DOS

IR

Vibrations