Geometry & MOs

Info

ID:	161738
PubChem CID:	57392492
Reduced:	OF2N2C30H32 (1)
Stoich.:	AB2C2D30E32 (1)
Weight, g/mol:	214.095357
ΔH_f, kcal/mol:	-77.92
Dipole, Da:	3.61
IP(EA), eV:	-9.01(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-hydroxyethyl)-4-methoxy-1-(methoxymethyl)pyrimidin-2-one

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC=C(C=C1)C(=C2CCN(CC2)CC3=CC=C(C=C3)F)C4=CC(=CC=C4)F

DOS

IR

Vibrations