Geometry & MOs

Info

ID:	247668
PubChem CID:	103072619
Reduced:	BrO2N3C10H14 (1)
Stoich.:	AB2C3D10E14 (1)
Weight, g/mol:	301.04259
ΔH_f, kcal/mol:	-63.24
Dipole, Da:	5.24
IP(EA), eV:	-9.35(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-1-[2-(propylaminomethyl)prop-2-enyl]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CCNCC(=C)CN1C=C(C(=O)NC1=O)Br

DOS

IR

Vibrations