Geometry & MOs

Info

ID:	288407
PubChem CID:	104316332
Reduced:	BrON4C14H17 (1)
Stoich.:	ABC4D14E17 (1)
Weight, g/mol:	338.03784
ΔH_f, kcal/mol:	6.49
Dipole, Da:	8.87
IP(EA), eV:	-8.47(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-bromopyridin-2-yl)-6-[(2-methoxyethylamino)methyl]-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

CC(C)(C)NCC1=CC(=O)N=C(N1)C2=C(C=CC=N2)Br

DOS

IR

Vibrations