Geometry & MOs

Info

ID:	193495
PubChem CID:	78400344
Reduced:	ClON3H14C20 (1)
Stoich.:	ABC3D14E20 (1)
Weight, g/mol:	324.147393
ΔH_f, kcal/mol:	101.94
Dipole, Da:	6.25
IP(EA), eV:	-8.52(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methoxy-6-[4-(4-methoxyphenyl)-3-methyl-1,4-dihydropyrazol-5-ylidene]-2-methylcyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)NC2=NC(=C3C=CC=CC3=O)N=C4C2C=CC=C4)Cl

DOS

IR

Vibrations