Geometry & MOs

Info

ID:	261021
PubChem CID:	103214617
Reduced:	ClINOH13C14 (1)
Stoich.:	ABCDE13F14 (1)
Weight, g/mol:	399.02507
ΔH_f, kcal/mol:	19.13
Dipole, Da:	4.55
IP(EA), eV:	-9.12(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-chloro-4-iodophenyl)-N-ethyl-3-phenylpropan-1-amine

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C(C2=CC(=C(C=C2)I)Cl)N

DOS

IR

Vibrations