Geometry & MOs

Info

ID:	7408
PubChem CID:	72468
Reduced:	O2N6C17H20 (1)
Stoich.:	A2B6C17D20 (1)
Weight, g/mol:	340.164774
ΔH_f, kcal/mol:	4.93
Dipole, Da:	3.24
IP(EA), eV:	-8.38(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C2C(=NC(=NC2=NC=C1CNC3=C(C=CC(=C3)OC)OC)N)N

DOS

IR

Vibrations