Geometry & MOs

Info

ID:	271682
PubChem CID:	103688072
Reduced:	N3O3C14H15 (1)
Stoich.:	A3B3C14D15 (1)
Weight, g/mol:	377.9632
ΔH_f, kcal/mol:	-97.17
Dipole, Da:	3.64
IP(EA), eV:	-9.31(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5-chloro-2-iodobenzoyl)-1-methylpiperazin-2-one

Drug info:

PubChemData

Smile

CN1CCN(CC1=O)C(=O)C2=CC3=C(C=C2)NC(=O)C3

DOS

IR

Vibrations