Geometry & MOs

Info

ID:	285500
PubChem CID:	104109926
Reduced:	ClNC8H18 (1)
Stoich.:	ABC8D18 (1)
Weight, g/mol:	225.128427
ΔH_f, kcal/mol:	-51.65
Dipole, Da:	3.55
IP(EA), eV:	-9.07(1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-[(4-methylphenyl)methyl]pentan-2-amine

Drug info:

PubChemData

Smile

CC(C)NC(C)CC(C)Cl

DOS

IR

Vibrations