Geometry & MOs

Info

ID:	16448
PubChem CID:	469409
Reduced:	O2N5C17H17 (1)
Stoich.:	A2B5C17D17 (1)
Weight, g/mol:	323.138225
ΔH_f, kcal/mol:	29.31
Dipole, Da:	4.85
IP(EA), eV:	-8.32(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-(3,4-dimethoxyphenyl)ethenyl]pyrido[2,3-d]pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C=CC2=CC3=C(N=C(N=C3N=C2)N)N)OC

DOS

IR

Vibrations