Geometry & MOs

Info

ID:	247676
PubChem CID:	103072640
Reduced:	BrON3C11H16 (1)
Stoich.:	ABC3D11E16 (1)
Weight, g/mol:	257.01637
ΔH_f, kcal/mol:	-8.06
Dipole, Da:	3.21
IP(EA), eV:	-9.15(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(aminomethyl)prop-2-enyl]-5-bromo-6-methylpyrimidin-4-one

Drug info:

PubChemData

Smile

CC(C)NCC(=C)CN1C=NC=C(C1=O)Br

DOS

IR

Vibrations