Geometry & MOs

Info

ID:	133852
PubChem CID:	51601134
Reduced:	FN2C13H18 (1)
Stoich.:	AB2C13D18 (1)
Weight, g/mol:	260.112505
ΔH_f, kcal/mol:	-15.6
Dipole, Da:	3.74
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.194071
Charge, e:	0

Chem-info

IUPAC name:

(3S)-5-fluoro-1-[(4-fluorophenyl)methyl]-2,3-dihydroindol-3-amine

Drug info:

PubChemData

Smile

C1CCC(C1)N2C[C@@H](C3=C2C=CC(=C3)F)[NH3+]

DOS

IR

Vibrations