Geometry & MOs

Info

ID:	233606
PubChem CID:	91145678
Reduced:	O7H14C20 (1)
Stoich.:	A7B14C20 (1)
Weight, g/mol:	312.204907
ΔH_f, kcal/mol:	-206.2
Dipole, Da:	2.07
IP(EA), eV:	-10.02(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-ethyl-2-(2-hexoxyethyl)-6-[hydroxy(methoxy)methyl]-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

C1COC(=O)C2=C(C1=O)C=C(C=C2)OC3=CC4=C(C=C3)C(=O)OCCC4=O

DOS

IR

Vibrations