Geometry & MOs

Info

ID:	310682
PubChem CID:	126584291
Reduced:	FOSN3C19H20 (1)
Stoich.:	ABCD3E19F20 (1)
Weight, g/mol:	294.136828
ΔH_f, kcal/mol:	-38.17
Dipole, Da:	6.3
IP(EA), eV:	-8.14(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1,2-dimethyl-7-pyridin-4-ylindol-3-yl)propanoic acid

Drug info:

PubChemData

Smile

CCC1=C(C=CC(=C1)C2=CNC3=C2C=CC(=C3)F)SNCCC(=O)N

DOS

IR

Vibrations