Geometry & MOs

Info

ID:	18224
PubChem CID:	538957
Reduced:	FN2O2H19C20 (1)
Stoich.:	AB2C2D19E20 (1)
Weight, g/mol:	338.143056
ΔH_f, kcal/mol:	-62.15
Dipole, Da:	5.47
IP(EA), eV:	-8.67(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(4-fluorophenyl)-7-methoxy-3,3a,4,5-tetrahydrobenzo[g]indazol-2-yl]ethanone

Drug info:

PubChemData

Smile

CC(=O)N1C(C2CCC3=C(C2=N1)C=CC(=C3)OC)C4=CC=C(C=C4)F

DOS

IR

Vibrations