Geometry & MOs

Info

ID:	80232
PubChem CID:	49833663
Reduced:	ClO2N3C19H20 (1)
Stoich.:	AB2C3D19E20 (1)
Weight, g/mol:	562.27645
ΔH_f, kcal/mol:	19.91
Dipole, Da:	2.57
IP(EA), eV:	-9.12(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-[4-[2-[2-(dimethylamino)benzimidazol-1-yl]-9-methyl-6-morpholin-4-ylpurine-8-carbonyl]piperazin-1-yl]-2-hydroxypropan-1-one

Drug info:

PubChemData

Smile

C1CN(CCC12CC(=NO2)OC3=CN=CC=C3)CC4=CC(=CC=C4)Cl

DOS

IR

Vibrations