Geometry & MOs

Info

ID:	23205
PubChem CID:	602769
Reduced:	ClINOC18H21 (1)
Stoich.:	ABCDE18F21 (1)
Weight, g/mol:	429.03564
ΔH_f, kcal/mol:	-8.93
Dipole, Da:	3.8
IP(EA), eV:	-8.89(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-chlorophenyl)ethyl]-1-(2-iodo-5-methoxyphenyl)propan-2-amine

Drug info:

PubChemData

Smile

CC(CC1=C(C=CC(=C1)OC)I)NCCC2=CC=C(C=C2)Cl

DOS

IR

Vibrations