Geometry & MOs

Info

ID:	337254
PubChem CID:	127256819
Reduced:	NSO4C23H31 (1)
Stoich.:	ABC4D23E31 (1)
Weight, g/mol:	227.985718
ΔH_f, kcal/mol:	-133.1
Dipole, Da:	3.04
IP(EA), eV:	-8.55(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6E)-3,4-dichloro-6-(1,2-dihydropyrazol-3-ylidene)cyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

CC1COCC(N1CC(C)C(C2=CC=CC=C2)(C3=CC=CC=C3)OS(=O)(=O)C)C

DOS

IR

Vibrations