Geometry & MOs

Info

ID:	27690
PubChem CID:	823106
Reduced:	NO5C14H17 (1)
Stoich.:	AB5C14D17 (1)
Weight, g/mol:	198.028541
ΔH_f, kcal/mol:	-144.95
Dipole, Da:	2.68
IP(EA), eV:	-9.52(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-5-prop-2-enyl-1H-pyrimidine-2,4-dithione

Drug info:

PubChemData

Smile

CO[C@H]1CC(=NO)[C@H]2[C@H](O1)CO[C@H](O2)C3=CC=CC=C3

DOS

IR

Vibrations