Geometry & MOs

Info

ID:	261046
PubChem CID:	103215552
Reduced:	ICl2N2H13C14 (1)
Stoich.:	AB2C2D13E14 (1)
Weight, g/mol:	419.9657
ΔH_f, kcal/mol:	53.43
Dipole, Da:	3.77
IP(EA), eV:	-9.45(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-chloro-4-iodophenyl)-2-(3-chloropyridin-4-yl)-N-ethylethanamine

Drug info:

PubChemData

Smile

CNC(CC1=C(C=NC=C1)Cl)C2=CC(=C(C=C2)I)Cl

DOS

IR

Vibrations