Geometry & MOs

Info

ID:	16449
PubChem CID:	469415
Reduced:	O2N5C17H23 (1)
Stoich.:	A2B5C17D23 (1)
Weight, g/mol:	329.185175
ΔH_f, kcal/mol:	-35.04
Dipole, Da:	3.28
IP(EA), eV:	-8.32(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-(3,4-dimethoxyphenyl)ethyl]-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CCC2CC3=C(N=C(N=C3NC2)N)N)OC

DOS

IR

Vibrations