Geometry & MOs

Info

ID:	200346
PubChem CID:	79376467
Reduced:	OSN4C14H18 (1)
Stoich.:	ABC4D14E18 (1)
Weight, g/mol:	238.131742
ΔH_f, kcal/mol:	23.66
Dipole, Da:	3.39
IP(EA), eV:	-7.79(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxy-6-methyl-3-(oxan-2-ylmethyl)pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=NC(=NN1)SC2CC3=C(C2NC)C=C(C=C3)OC

DOS

IR

Vibrations