Geometry & MOs

Info

ID:	254436
PubChem CID:	103125260
Reduced:	NOC4H6 (2)
Stoich.:	ABC4D6 (2)
Weight, g/mol:	302.093439
ΔH_f, kcal/mol:	-73.9
Dipole, Da:	3.88
IP(EA), eV:	-8.74(0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(1-methylindazol-3-yl)ethanone

Drug info:

PubChemData

Smile

C1COCCC1N2C=CNC2=O

DOS

IR

Vibrations