Geometry & MOs

Info

ID:	292368
PubChem CID:	114917594
Reduced:	N2O3C16H22 (1)
Stoich.:	A2B3C16D22 (1)
Weight, g/mol:	336.984338
ΔH_f, kcal/mol:	-107.93
Dipole, Da:	3.68
IP(EA), eV:	-9.36(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5-dichloro-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C1CNC1)C(=O)NC(CCC2=CC=CC=C2)C(=O)O

DOS

IR

Vibrations