Geometry & MOs

Info

ID:	10396
PubChem CID:	101427
Reduced:	O3N4C11H18 (2)
Stoich.:	A3B4C11D18 (2)
Weight, g/mol:	508.275781
ΔH_f, kcal/mol:	-187.72
Dipole, Da:	2.8
IP(EA), eV:	-8.16(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[8-[bis(2-hydroxyethyl)amino]-2,6-dimorpholin-4-ylpyrimido[5,4-d]pyrimidin-4-yl]-(2-hydroxyethyl)amino]ethanol

Drug info:

PubChemData

Smile

C1COCCN1C2=NC3=C(C(=N2)N(CCO)CCO)N=C(N=C3N(CCO)CCO)N4CCOCC4

DOS

IR

Vibrations