Geometry & MOs

Info

ID:	189324
PubChem CID:	77840381
Reduced:	INO4C22H30 (1)
Stoich.:	ABC4D22E30 (1)
Weight, g/mol:	210.100442
ΔH_f, kcal/mol:	-130.08
Dipole, Da:	3.95
IP(EA), eV:	-8.88(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methoxy-6-(methoxymethyl)-2-prop-2-enyl-5H-pyrimidin-4-one

Drug info:

PubChemData

Smile

CCOCCOC1=CC=C(C=C1)CC(C)NC(CCOC2=CC=CC=C2)(O)I

DOS

IR

Vibrations