Geometry & MOs

Info

ID:	274090
PubChem CID:	103806960
Reduced:	ClION2C12H14 (1)
Stoich.:	ABCD2E12F14 (1)
Weight, g/mol:	363.98394
ΔH_f, kcal/mol:	-11.59
Dipole, Da:	4.0
IP(EA), eV:	-9.25(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-chloro-4-iodophenyl)-(3-methylpiperazin-1-yl)methanone

Drug info:

PubChemData

Smile

CC1CN(CCN1)C(=O)C2=C(C=CC(=C2)Cl)I

DOS

IR

Vibrations