Geometry & MOs

Info

ID:	276413
PubChem CID:	103823077
Reduced:	ON2S2C13H18 (1)
Stoich.:	AB2C2D13E18 (1)
Weight, g/mol:	267.117176
ΔH_f, kcal/mol:	-9.25
Dipole, Da:	2.51
IP(EA), eV:	-8.87(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(6-fluoro-2,3-dihydroindol-1-yl)-2,6-dimethylpyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=C(N=C(S1)C)C(C)NCC(C2=CSC=C2)O

DOS

IR

Vibrations