Geometry & MOs

Info

ID:	25757
PubChem CID:	630492
Reduced:	NSO2C19H27 (1)
Stoich.:	ABC2D19E27 (1)
Weight, g/mol:	333.152892
ΔH_f, kcal/mol:	-68.49
Dipole, Da:	1.66
IP(EA), eV:	-8.05(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-fluorophenyl)-6,6-dimethyl-2-phenyl-5,7-dihydroindol-4-one

Drug info:

PubChemData

Smile

CCCCCCCCN=CC1=C(C2=C(S1)C=CC(=C2)OCC)O

DOS

IR

Vibrations