Geometry & MOs

Info

ID:	193417
PubChem CID:	78391695
Reduced:	NO3H13C15 (1)
Stoich.:	AB3C13D15 (1)
Weight, g/mol:	333.12774
ΔH_f, kcal/mol:	-69.39
Dipole, Da:	7.15
IP(EA), eV:	-8.88(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(4-fluorophenyl)-5-pyridin-3-ylimidazolidin-2-ylidene]cyclohexa-2,5-dien-1-one

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)C(=O)C3C(=CC(=CC3=O)OC)N2

DOS

IR

Vibrations