Geometry & MOs

Info

ID:	200281
PubChem CID:	79375979
Reduced:	OSN4C11H16 (1)
Stoich.:	ABC4D11E16 (1)
Weight, g/mol:	234.111676
ΔH_f, kcal/mol:	-0.97
Dipole, Da:	4.66
IP(EA), eV:	-9.33(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxy-6-methyl-3-[(3-methylimidazol-4-yl)methyl]pyrimidin-4-one

Drug info:

PubChemData

Smile

CCCNC(=O)C(C)NC1=C(C(=NS1)C)C#N

DOS

IR

Vibrations