Geometry & MOs

Info

ID:	410926
PubChem CID:	135083727
Reduced:	OSC12H12 (1)
Stoich.:	ABC12D12 (1)
Weight, g/mol:	226.131742
ΔH_f, kcal/mol:	28.37
Dipole, Da:	3.9
IP(EA), eV:	-9.05(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-methyl-2-oxo-6-propan-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

CC(C=C=C)(C=O)SC1=CC=CC=C1

DOS

IR

Vibrations