Geometry & MOs

Info

ID:	247677
PubChem CID:	103072642
Reduced:	BrON3C9H12 (1)
Stoich.:	ABC3D9E12 (1)
Weight, g/mol:	257.01637
ΔH_f, kcal/mol:	-3.09
Dipole, Da:	4.17
IP(EA), eV:	-9.47(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=O)N(C=N1)CC(=C)CN)Br

DOS

IR

Vibrations