Geometry & MOs

Info

ID:	271302
PubChem CID:	103654348
Reduced:	ION2C14H19 (1)
Stoich.:	ABC2D14E19 (1)
Weight, g/mol:	253.09819
ΔH_f, kcal/mol:	-13.02
Dipole, Da:	4.35
IP(EA), eV:	-8.76(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-chloropyridin-2-yl)-(2,4-dimethylpiperazin-1-yl)methanone

Drug info:

PubChemData

Smile

CC1CN(CCN1C(=O)C2=CC=CC(=C2I)C)C

DOS

IR

Vibrations