Geometry & MOs

Info

ID:	189876
PubChem CID:	77918789
Reduced:	SO3N5C16H27 (1)
Stoich.:	AB3C5D16E27 (1)
Weight, g/mol:	351.169525
ΔH_f, kcal/mol:	-93.86
Dipole, Da:	8.03
IP(EA), eV:	-9.32(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrazolidin-3-ylidene]cyclohexa-2,5-dien-1-one

Drug info:

PubChemData

Smile

CCN1C=CN=C1CN2CCN(C3C2CS(=O)(=O)C3)CC(=O)N(C)C

DOS

IR

Vibrations