Geometry & MOs

Info

ID:	287624
PubChem CID:	104249130
Reduced:	N2O3C11H18 (1)
Stoich.:	A2B3C11D18 (1)
Weight, g/mol:	348.04734
ΔH_f, kcal/mol:	-134.96
Dipole, Da:	2.3
IP(EA), eV:	-9.55(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC1=C(N=C(NC1=O)CC(C)OC)O

DOS

IR

Vibrations