Geometry & MOs

Info

ID:	144995
PubChem CID:	53446394
Reduced:	FNO2C5H6 (2)
Stoich.:	ABC2D5E6 (2)
Weight, g/mol:	476.172752
ΔH_f, kcal/mol:	-244.32
Dipole, Da:	5.93
IP(EA), eV:	-10.06(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-(4-chlorophenyl)-3-[2-(4-phenylpiperazin-1-yl)acetyl]tetrazolidin-5-ylidene]cyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

C1=CC(=CN=C1)CC(CN)(F)F.C(=O)(C(=O)O)O

DOS

IR

Vibrations