Geometry & MOs

Info

ID:	159111
PubChem CID:	57260392
Reduced:	O2N3C22H29 (1)
Stoich.:	A2B3C22D29 (1)
Weight, g/mol:	183.0354
ΔH_f, kcal/mol:	-64.45
Dipole, Da:	6.18
IP(EA), eV:	-8.26(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3a,4,7,7a-tetrahydrothieno[3,2-c]pyridine-6-carboxylic acid

Drug info:

PubChemData

Smile

CCN(CCC1=CC=C(C=C1)N)CCOC2=C3CCC(=O)NC3=C(C=C2)C

DOS

IR

Vibrations