Geometry & MOs

Info

ID:	150214
PubChem CID:	53789901
Reduced:	N3C23H31 (1)
Stoich.:	A3B23C31 (1)
Weight, g/mol:	340.093329
ΔH_f, kcal/mol:	46.48
Dipole, Da:	0.98
IP(EA), eV:	-8.46(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-fluoro-2-methyl-3-[methylsulfanyl(phenyl)methylidene]inden-1-yl]acetic acid

Drug info:

PubChemData

Smile

CCCN(CCC)CC1=NCCC(N1C2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations