Geometry & MOs

Info

ID:	287625
PubChem CID:	104249144
Reduced:	BrN2O2C16H17 (1)
Stoich.:	AB2C2D16E17 (1)
Weight, g/mol:	316.04226
ΔH_f, kcal/mol:	-43.04
Dipole, Da:	10.47
IP(EA), eV:	-9.26(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-6-(methoxymethyl)-2-(oxan-2-ylmethyl)-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

C1CCOC(C1)CC2=NC(=O)C(=C(N2)C3=CC=CC=C3)Br

DOS

IR

Vibrations