Geometry & MOs

Info

ID:	373513
PubChem CID:	131316342
Reduced:	ON2C12H12 (1)
Stoich.:	AB2C12D12 (1)
Weight, g/mol:	232.030649
ΔH_f, kcal/mol:	13.52
Dipole, Da:	4.68
IP(EA), eV:	-8.79(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-thiophen-2-ylpyrimidin-2-yl)prop-2-enoic acid

Drug info:

PubChemData

Smile

CCC1=CC2=C(C=C1)NC=C2C(C#N)O

DOS

IR

Vibrations