Geometry & MOs

Info

ID:	223389
PubChem CID:	85334956
Reduced:	OF3N3H10C15 (1)
Stoich.:	AB3C3D10E15 (1)
Weight, g/mol:	305.14495
ΔH_f, kcal/mol:	-59.45
Dipole, Da:	11.99
IP(EA), eV:	-8.02(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6,6-dimethyl-5,7-dihydrothieno[3,2-c]pyridin-4-ylidene)-1-(4-hydroxycyclohexyl)ethanone

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)C(F)(F)F)C2=CNC3=CC(=CN=O)C=CN32

DOS

IR

Vibrations