Geometry & MOs

Info

ID:	16098
PubChem CID:	459881
Reduced:	ON3C9H11 (2)
Stoich.:	AB3C9D11 (2)
Weight, g/mol:	354.180424
ΔH_f, kcal/mol:	4.06
Dipole, Da:	6.12
IP(EA), eV:	-8.25(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(2,5-dimethoxyanilino)methyl]-5-ethylpyrido[2,3-d]pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CCC1=C2C(=NC(=NC2=NC=C1CNC3=C(C=CC(=C3)OC)OC)N)N

DOS

IR

Vibrations