Geometry & MOs

Info

ID:	307761
PubChem CID:	125308917
Reduced:	OSN4C29H30 (1)
Stoich.:	ABC4D29E30 (1)
Weight, g/mol:	335.163377
ΔH_f, kcal/mol:	70.94
Dipole, Da:	7.99
IP(EA), eV:	-8.96(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3,5-dimethyl-6-oxocyclohexa-2,4-dien-1-ylidene)-N-[(4-methylphenyl)methyl]-1,4-dihydropyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)SCC2=NC(=NC(=O)C2)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations