Geometry & MOs

Info

ID:	285486
PubChem CID:	104109535
Reduced:	NSO3C11H17 (1)
Stoich.:	ABC3D11E17 (1)
Weight, g/mol:	279.034833
ΔH_f, kcal/mol:	-122.83
Dipole, Da:	5.27
IP(EA), eV:	-10.04(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-[(3,4-dichlorophenyl)methyl]pentan-2-amine

Drug info:

PubChemData

Smile

CC(CC(C)O)NS(=O)(=O)C1=CC=CC=C1

DOS

IR

Vibrations