Geometry & MOs

Info

ID:	247680
PubChem CID:	103072651
Reduced:	BrON3C12H18 (1)
Stoich.:	ABC3D12E18 (1)
Weight, g/mol:	297.04767
ΔH_f, kcal/mol:	-19.45
Dipole, Da:	2.89
IP(EA), eV:	-9.05(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations