Geometry & MOs

Info

ID:	261045
PubChem CID:	103215551
Reduced:	ICl2N2C16H17 (1)
Stoich.:	AB2C2D16E17 (1)
Weight, g/mol:	405.95005
ΔH_f, kcal/mol:	47.92
Dipole, Da:	5.63
IP(EA), eV:	-9.3(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations