Geometry & MOs

Info

ID:	254491
PubChem CID:	103125646
Reduced:	ON2C10H16 (1)
Stoich.:	AB2C10D16 (1)
Weight, g/mol:	302.062219
ΔH_f, kcal/mol:	-26.6
Dipole, Da:	3.58
IP(EA), eV:	-8.61(0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-chloro-4-fluorophenyl)-1-(1-methylindazol-3-yl)ethanone

Drug info:

PubChemData

Smile

CCC(CC1CC1)N2C=CNC2=O

DOS

IR

Vibrations