Geometry & MOs

Info

ID:	134626
PubChem CID:	51729234
Reduced:	OCl2N4C14H14 (1)
Stoich.:	AB2C4D14E14 (1)
Weight, g/mol:	335.125181
ΔH_f, kcal/mol:	34.48
Dipole, Da:	4.96
IP(EA), eV:	-10.05(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

5-ethyl-N-[(2R)-2-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium-5-yl)propyl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

C[C@@]1(CC1(Cl)Cl)C(=O)NCC2=NN=CN2C3=CC=CC=C3

DOS

IR

Vibrations