Geometry & MOs

Info

ID:	10397
PubChem CID:	101428
Reduced:	O2N4C9H16 (2)
Stoich.:	A2B4C9D16 (2)
Weight, g/mol:	424.254652
ΔH_f, kcal/mol:	-109.69
Dipole, Da:	3.07
IP(EA), eV:	-7.87(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[methyl-[2,4,6-tris[2-hydroxyethyl(methyl)amino]pyrimido[5,4-d]pyrimidin-8-yl]amino]ethanol

Drug info:

PubChemData

Smile

CN(CCO)C1=NC(=NC2=C1N=C(N=C2N(C)CCO)N(C)CCO)N(C)CCO

DOS

IR

Vibrations