Geometry & MOs

Info

ID:	630
PubChem CID:	3108
Reduced:	ON2C6H10 (4)
Stoich.:	AB2C6D10 (4)
Weight, g/mol:	504.317252
ΔH_f, kcal/mol:	-130.67
Dipole, Da:	4.62
IP(EA), eV:	-8.01(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-[bis(2-hydroxyethyl)amino]-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidin-6-yl]-(2-hydroxyethyl)amino]ethanol

Drug info:

PubChemData

Smile

C1CCN(CC1)C2=NC(=NC3=C2N=C(N=C3N4CCCCC4)N(CCO)CCO)N(CCO)CCO

DOS

IR

Vibrations