Geometry & MOs

Info

ID:	182762
PubChem CID:	76936502
Reduced:	ON4C14H20 (1)
Stoich.:	AB4C14D20 (1)
Weight, g/mol:	299.098
ΔH_f, kcal/mol:	-1.57
Dipole, Da:	5.18
IP(EA), eV:	-8.88(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-methylphenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

C1CN(CC1C2=CC=CC=C2)C(=O)C3CNNC3N

DOS

IR

Vibrations