Geometry & MOs

Info

ID:	425947
PubChem CID:	135133289
Reduced:	FO3N4H21C24 (1)
Stoich.:	AB3C4D21E24 (1)
Weight, g/mol:	384.158626
ΔH_f, kcal/mol:	-48.18
Dipole, Da:	10.64
IP(EA), eV:	-8.65(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-(4-oxocyclohexa-2,5-dien-1-ylidene)-1,2-dihydropyrazol-3-yl]-N-(2-pyridin-2-ylethyl)benzamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C2=C/C(=C\3/C=CC(=CC3=O)F)/NN2)C(=O)N[C@H](CC4=CC=CC=N4)CO

DOS

IR

Vibrations