Geometry & MOs

Info

ID:	186749
PubChem CID:	77478143
Reduced:	N5O9C34H49 (1)
Stoich.:	A5B9C34D49 (1)
Weight, g/mol:	431.19574
ΔH_f, kcal/mol:	-345.4
Dipole, Da:	6.38
IP(EA), eV:	-9.51(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[9-[5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]-1,2-diphenylethanol

Drug info:

PubChemData

Smile

CCCC(C(=O)C(=O)NC)NC(=O)C1CC2(CC1C(=O)C(CC(=O)OC3CCCC3)C(C)(C)C)CC(=NO2)C4=CN=C(N=C4OC)OC

DOS

IR

Vibrations