Geometry & MOs

Info

ID:	16568
PubChem CID:	472910
Reduced:	ClN3H6C7 (2)
Stoich.:	AB3C6D7 (2)
Weight, g/mol:	334.05005
ΔH_f, kcal/mol:	73.9
Dipole, Da:	5.91
IP(EA), eV:	-8.74(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(2,5-dichloroanilino)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Cl)NCC2=CC3=C(N=C(N=C3N=C2)N)N)Cl

DOS

IR

Vibrations