Geometry & MOs

Info

ID:	249623
PubChem CID:	103090932
Reduced:	OSH12C13 (1)
Stoich.:	ABC12D13 (1)
Weight, g/mol:	162.079313
ΔH_f, kcal/mol:	4.96
Dipole, Da:	1.94
IP(EA), eV:	-8.64(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-methyl-4-pyrimidin-4-ylbut-3-en-2-one

Drug info:

PubChemData

Smile

C/C(=C\C1=CSC2=CC=CC=C21)/C(=O)C

DOS

IR

Vibrations