Geometry & MOs

Info

ID:	261570
PubChem CID:	103240839
Reduced:	NSO2C14H19 (1)
Stoich.:	ABC2D14E19 (1)
Weight, g/mol:	276.111007
ΔH_f, kcal/mol:	-54.7
Dipole, Da:	2.65
IP(EA), eV:	-8.43(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3,5-dimethoxyphenoxy)-2-ethyl-1H-pyrimidin-6-one

Drug info:

PubChemData

Smile

CC/C(=C/CNCCSC1=CC=CC=C1)/C(=O)O

DOS

IR

Vibrations