Geometry & MOs

Info

ID:	327580
PubChem CID:	126690408
Reduced:	OSN3C15H19 (1)
Stoich.:	ABC3D15E19 (1)
Weight, g/mol:	196.045506
ΔH_f, kcal/mol:	34.7
Dipole, Da:	2.88
IP(EA), eV:	-8.62(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-6-chloro-7-fluoro-1,3-dimethyl-1H-indene

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)N(C2=CSC(=C2C)C(=NC)N)O

DOS

IR

Vibrations