Geometry & MOs

Info

ID:	188233
PubChem CID:	77686681
Reduced:	N3O4H19C20 (1)
Stoich.:	A3B4C19D20 (1)
Weight, g/mol:	232.067034
ΔH_f, kcal/mol:	-81.32
Dipole, Da:	4.71
IP(EA), eV:	-8.71(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-5-prop-2-enyl-2-thiophen-2-yl-5H-pyrimidin-4-one

Drug info:

PubChemData

Smile

C1C2C3=CC=CC=C3CC4=CC=CC=C4N2C(=N1)N.C(=CC(=O)O)C(=O)O

DOS

IR

Vibrations