Geometry & MOs

Info

ID:	247678
PubChem CID:	103072647
Reduced:	BrON3C9H12 (1)
Stoich.:	ABC3D9E12 (1)
Weight, g/mol:	285.04767
ΔH_f, kcal/mol:	-3.08
Dipole, Da:	4.97
IP(EA), eV:	-9.44(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-3-[2-(ethylaminomethyl)prop-2-enyl]-2-methylpyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=NC=C(C(=O)N1CC(=C)CN)Br

DOS

IR

Vibrations