Geometry & MOs

Info

ID:	373908
PubChem CID:	131321217
Reduced:	FNSC11H14 (1)
Stoich.:	ABCD11E14 (1)
Weight, g/mol:	211.0667
ΔH_f, kcal/mol:	-43.45
Dipole, Da:	2.54
IP(EA), eV:	-8.65(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-7-yl)acetate

Drug info:

PubChemData

Smile

CC1=CC2=C(CC(CCS2)N)C=C1F

DOS

IR

Vibrations