Geometry & MOs

Info

ID:	296252
PubChem CID:	117563414
Reduced:	ClN2O2C8H13 (1)
Stoich.:	AB2C2D8E13 (1)
Weight, g/mol:	201.136493
ΔH_f, kcal/mol:	-97.74
Dipole, Da:	1.58
IP(EA), eV:	-9.56(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-oxo-4-(pentylamino)butanoic acid

Drug info:

PubChemData

Smile

C1CN(CCN1C=O)C(=O)CCCl

DOS

IR

Vibrations