Geometry & MOs

Info

ID:	170393
PubChem CID:	75227396
Reduced:	N4O5H20C24 (1)
Stoich.:	A4B5C20D24 (1)
Weight, g/mol:	314.141913
ΔH_f, kcal/mol:	-92.71
Dipole, Da:	4.75
IP(EA), eV:	-9.23(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[5-(2-phenylphenyl)pyrazolidin-3-ylidene]cyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

CNC(=O)C1=CC2=C(C=C1)NC(=C2)C(=O)N3CC4CC45C3=CC(=O)C6=C5C=C(N6)C(=O)OC

DOS

IR

Vibrations