Geometry & MOs

Info

ID:	342684
PubChem CID:	127265844
Reduced:	ON4C16H20 (1)
Stoich.:	AB4C16D20 (1)
Weight, g/mol:	257.062283
ΔH_f, kcal/mol:	4.44
Dipole, Da:	6.27
IP(EA), eV:	-7.82(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-4-oxo-2-(1-thiophen-3-ylprop-1-en-2-yl)-1H-pyrimidine-5-carbonitrile

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)CNC2=CC3=C(C=C2)N(C(=O)C3)C

DOS

IR

Vibrations