Geometry & MOs

Info

ID:	254465
PubChem CID:	103125490
Reduced:	N2O2C9H16 (1)
Stoich.:	A2B2C9D16 (1)
Weight, g/mol:	282.116841
ΔH_f, kcal/mol:	-83.43
Dipole, Da:	2.71
IP(EA), eV:	-8.68(0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-fluoro-2-methylphenyl)-1-(1-methylindazol-3-yl)ethanone

Drug info:

PubChemData

Smile

CCCCOCCN1C=CNC1=O

DOS

IR

Vibrations