Geometry & MOs

Info

ID:	49086
PubChem CID:	11528695
Reduced:	ClNOC12H16 (1)
Stoich.:	ABCD12E16 (1)
Weight, g/mol:	225.128427
ΔH_f, kcal/mol:	-45.97
Dipole, Da:	1.41
IP(EA), eV:	-9.05(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-chlorophenyl)-N-ethylpentan-2-amine

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C[C@@H]2CNCCO2)Cl

DOS

IR

Vibrations