Geometry & MOs

Info

ID:	247673
PubChem CID:	103072634
Reduced:	ON5C12H15 (1)
Stoich.:	AB5C12D15 (1)
Weight, g/mol:	271.03202
ΔH_f, kcal/mol:	70.7
Dipole, Da:	1.42
IP(EA), eV:	-9.19(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-3-[2-(ethylaminomethyl)prop-2-enyl]pyrimidin-4-one

Drug info:

PubChemData

Smile

C=C(CNC1CC1)CN2C(=O)N3C=CN=CC3=N2

DOS

IR

Vibrations