Geometry & MOs

Info

ID:	208364
PubChem CID:	80525305
Reduced:	ClN2O2H13C16 (1)
Stoich.:	AB2C2D13E16 (1)
Weight, g/mol:	311.05509
ΔH_f, kcal/mol:	13.09
Dipole, Da:	5.3
IP(EA), eV:	-9.26(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-5-(5-ethylthiophen-2-yl)-4-pyridin-4-ylthiophene-2-carbonitrile

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)/C(=C(/C#N)\C2=CC=NC=C2)/Cl)OC

DOS

IR

Vibrations