Geometry & MOs

Info

ID:	247681
PubChem CID:	103072652
Reduced:	BrON3C12H16 (1)
Stoich.:	ABC3D12E16 (1)
Weight, g/mol:	333.03381
ΔH_f, kcal/mol:	12.22
Dipole, Da:	3.45
IP(EA), eV:	-9.3(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(ethylaminomethyl)prop-2-enyl]-5-iodo-6-methylpyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=NC=C(C(=O)N1CC(=C)CNC2CC2)Br

DOS

IR

Vibrations