Geometry & MOs

Info

ID:	442456
PubChem CID:	135252150
Reduced:	NOH19C30 (1)
Stoich.:	ABC19D30 (1)
Weight, g/mol:	204.131429
ΔH_f, kcal/mol:	106.71
Dipole, Da:	1.38
IP(EA), eV:	-8.18(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethyl-8-fluoro-1,2,3,5,6,7-hexahydro-s-indacene

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=CC=CC=C3N2C4=CC=CC=C4C5=CC=CC6=C5OC7=CC=CC=C67

DOS

IR

Vibrations