Geometry & MOs

Info

ID:	165545
PubChem CID:	74563620
Reduced:	O3N7C25H35 (1)
Stoich.:	A3B7C25D35 (1)
Weight, g/mol:	324.03476
ΔH_f, kcal/mol:	-38.43
Dipole, Da:	6.32
IP(EA), eV:	-8.67(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

5-[(2-bromoanilino)methyl]-1,3-dimethyl-5H-pyrimidin-1-ium-2,4-dione

Drug info:

PubChemData

Smile

CCN1CCN(CC1)C(C2CC3CC4C(CC3NC2=O)OCO4)C5=NN=NN5CC6=CC=CC=C6

DOS

IR

Vibrations