Geometry & MOs

Info

ID:	274308
PubChem CID:	103808478
Reduced:	ClON2C15H21 (1)
Stoich.:	ABC2D15E21 (1)
Weight, g/mol:	254.118591
ΔH_f, kcal/mol:	-60.13
Dipole, Da:	2.12
IP(EA), eV:	-8.97(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-N-(2-chloro-5-methylphenyl)-4-methylpentanamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)Cl)NC(=O)C2CCCCCC2N

DOS

IR

Vibrations