Geometry & MOs

Info

ID:	307311
PubChem CID:	125299545
Reduced:	ClO2N3H24C28 (1)
Stoich.:	AB2C3D24E28 (1)
Weight, g/mol:	335.163377
ΔH_f, kcal/mol:	24.59
Dipole, Da:	2.99
IP(EA), eV:	-9.0(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3,4-dimethyl-6-oxocyclohexa-2,4-dien-1-ylidene)-N-(2,6-dimethylphenyl)-1,4-dihydropyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)[C@@H]2[C@H]3C(=C4C=CC=CC4=N3)C[C@H]5N2C(=O)CN(C5=O)CC6=CC=C(C=C6)Cl

DOS

IR

Vibrations