Geometry & MOs

Info

ID:	352959
PubChem CID:	127284050
Reduced:	O2N5C17H21 (1)
Stoich.:	A2B5C17D21 (1)
Weight, g/mol:	250.113984
ΔH_f, kcal/mol:	-26.84
Dipole, Da:	7.75
IP(EA), eV:	-7.92(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(1-methylpyrrolidin-3-yl)methanone

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=NC=C(C=C2)NC(=O)C3=CC=CN(C3=O)C

DOS

IR

Vibrations