Geometry & MOs

Info

ID:	209764
PubChem CID:	80718185
Reduced:	BrON2C13H13 (1)
Stoich.:	ABC2D13E13 (1)
Weight, g/mol:	294.99564
ΔH_f, kcal/mol:	-0.14
Dipole, Da:	3.97
IP(EA), eV:	-9.56(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-3-[2-(2-oxopyridin-1-yl)ethyl]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)CN2C=NC=C(C2=O)Br

DOS

IR

Vibrations