Geometry & MOs

Info

ID:	16724
PubChem CID:	476044
Reduced:	ClN6H11C13 (1)
Stoich.:	AB6C11D13 (1)
Weight, g/mol:	286.073372
ΔH_f, kcal/mol:	80.85
Dipole, Da:	2.64
IP(EA), eV:	-8.37(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-N-(4-chlorophenyl)pyrido[3,2-d]pyrimidine-2,4,6-triamine

Drug info:

PubChemData

Smile

C1=CC(=CC=C1NC2=NC3=C(C=C2)N=C(N=C3N)N)Cl

DOS

IR

Vibrations