Geometry & MOs

Info

ID:	145920
PubChem CID:	53612339
Reduced:	ON2C10H10 (2)
Stoich.:	AB2C10D10 (2)
Weight, g/mol:	310.000133
ΔH_f, kcal/mol:	-3.14
Dipole, Da:	5.75
IP(EA), eV:	-8.67(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-chlorothiophen-2-yl)-N-[cyano(thiophen-3-yl)methyl]propanamide

Drug info:

PubChemData

Smile

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=NC4=CC=CC=C4N3

DOS

IR

Vibrations