Geometry & MOs

Info

ID:	307804
PubChem CID:	125309438
Reduced:	ON2C9H12 (2)
Stoich.:	AB2C9D12 (2)
Weight, g/mol:	341.093104
ΔH_f, kcal/mol:	-28.93
Dipole, Da:	6.88
IP(EA), eV:	-8.32(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@H]1C(=NC(=NC1=O)N2CCN(CC2)C3=CC(=CC=C3)OC)C

DOS

IR

Vibrations