Geometry & MOs

Info

ID:	173882
PubChem CID:	75693054
Reduced:	ClN2O4H19C20 (1)
Stoich.:	AB2C4D19E20 (1)
Weight, g/mol:	253.056135
ΔH_f, kcal/mol:	-55.49
Dipole, Da:	9.87
IP(EA), eV:	-8.75(-1.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methylphenyl)-2-(thiophene-3-carbonyl)prop-2-enenitrile

Drug info:

PubChemData

Smile

CCOC1=CC=CC(=C1)C=C(C2=NC(=O)C3=CC(C(=CC3=N2)OC)OC)Cl

DOS

IR

Vibrations