Geometry & MOs

Info

ID:	83974
PubChem CID:	49862996
Reduced:	FN3O3C24H32 (1)
Stoich.:	AB3C3D24E32 (1)
Weight, g/mol:	367.135448
ΔH_f, kcal/mol:	-137.53
Dipole, Da:	8.36
IP(EA), eV:	-8.87(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(4-methylcyclohexyl)triazol-4-yl]-5-phenylthiophene-2-carboxylic acid

Drug info:

PubChemData

Smile

CCOC1=CC(=CC(=C1F)OCC)CN2CCC[C@H](CC2)NC(=O)C3=CN=CC(=C3)C

DOS

IR

Vibrations