Geometry & MOs

Info

ID:	192168
PubChem CID:	78235218
Reduced:	FO2N7C30H38 (1)
Stoich.:	AB2C7D30E38 (1)
Weight, g/mol:	378.04533
ΔH_f, kcal/mol:	-21.82
Dipole, Da:	9.94
IP(EA), eV:	-8.66(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

8-[(4-bromophenyl)methyl]-1,3-dimethyl-5,6-dihydro-4aH-pyrido[2,3-d]pyrimidin-1-ium-2,4,7-trione

Drug info:

PubChemData

Smile

COC1CCC2C(C1)CC(C(=O)N2)C(C3=NN=NN3CCC4=CC=CC=C4)N5CCN(CC5)C6=CC=CC=C6F

DOS

IR

Vibrations