Geometry & MOs

Info

ID:	247674
PubChem CID:	103072636
Reduced:	BrON3C10H14 (1)
Stoich.:	ABC3D10E14 (1)
Weight, g/mol:	299.06332
ΔH_f, kcal/mol:	2.71
Dipole, Da:	2.0
IP(EA), eV:	-9.03(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-3-[2-[(tert-butylamino)methyl]prop-2-enyl]pyrimidin-4-one

Drug info:

PubChemData

Smile

CCNCC(=C)CN1C=NC=C(C1=O)Br

DOS

IR

Vibrations