Geometry & MOs

Info

ID:	184326
PubChem CID:	77145737
Reduced:	N2H22C23 (1)
Stoich.:	A2B22C23 (1)
Weight, g/mol:	469.163771
ΔH_f, kcal/mol:	79.77
Dipole, Da:	3.91
IP(EA), eV:	-8.4(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[3-[2-(4-hydroxy-3-methoxyphenyl)ethenyl]-2-(pyridine-4-carbonyl)-1H-pyrazol-5-ylidene]ethylidene]-2-methoxycyclohexa-2,5-dien-1-one

Drug info:

PubChemData

Smile

C1C2C(C3CN4C=CC=C4C3N2CC5=CC=CC=C51)C6=CC=CC=C6

DOS

IR

Vibrations