Geometry & MOs

Info

ID:	43009
PubChem CID:	10317748
Reduced:	N2O5C21H22 (1)
Stoich.:	A2B5C21D22 (1)
Weight, g/mol:	382.180504
ΔH_f, kcal/mol:	-145.87
Dipole, Da:	5.34
IP(EA), eV:	-8.26(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6Z)-4-[2-(2-fluorophenyl)ethyl]-3-hydroxy-6-(4-piperazin-1-yl-1,2-dihydropyrazol-3-ylidene)cyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

CN1C=C(C(C(=C1)C(=O)OC)CC(=O)C2=CC3=CC=CC=C3N2C)C(=O)OC

DOS

IR

Vibrations