Geometry & MOs

Info

ID:	27700
PubChem CID:	823151
Reduced:	BrO3N4C9H9 (1)
Stoich.:	AB3C4D9E9 (1)
Weight, g/mol:	256.036318
ΔH_f, kcal/mol:	-89.23
Dipole, Da:	10.24
IP(EA), eV:	-9.48(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-amino-6-chloro-1,3-dimethyl-8H-pyrido[2,3-d]pyrimidine-2,4,5-trione

Drug info:

PubChemData

Smile

CN1C2=C(C(=O)C(=C(N2)N)Br)C(=O)N(C1=O)C

DOS

IR

Vibrations