Geometry & MOs

Info

ID:	274089
PubChem CID:	103806957
Reduced:	O2N3C10H17 (1)
Stoich.:	A2B3C10D17 (1)
Weight, g/mol:	363.98394
ΔH_f, kcal/mol:	-92.93
Dipole, Da:	6.3
IP(EA), eV:	-9.49(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-chloro-2-iodophenyl)-(3-methylpiperazin-1-yl)methanone

Drug info:

PubChemData

Smile

CC1CN(CCN1)C(=O)[C@H]2CCC(=O)N2

DOS

IR

Vibrations