Geometry & MOs

Info

ID:	189060
PubChem CID:	77811557
Reduced:	ClN2O4C25H33 (1)
Stoich.:	AB2C4D25E33 (1)
Weight, g/mol:	366.052455
ΔH_f, kcal/mol:	-162.28
Dipole, Da:	0.64
IP(EA), eV:	-8.93(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

6,7-diamino-5-(2,4-dichlorophenyl)-1,3-dimethyl-4aH-pyrido[2,3-d]pyrimidin-1-ium-2,4-dione

Drug info:

PubChemData

Smile

CCC1=CC(=CC=C1)OC2=C(C=CC=C2Cl)C(CCCNC(=O)OC)(C3CCCNC3)O

DOS

IR

Vibrations