Geometry & MOs

Info

ID:	137363
PubChem CID:	52198221
Reduced:	NOSH11C15 (1)
Stoich.:	ABCD11E15 (1)
Weight, g/mol:	283.0667
ΔH_f, kcal/mol:	61.3
Dipole, Da:	4.75
IP(EA), eV:	-9.42(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)/C=C(/C#N)\C(=O)C2=CSC=C2

DOS

IR

Vibrations