Geometry & MOs

Info

ID:	445248
PubChem CID:	135265477
Reduced:	ClNO5C22H22 (1)
Stoich.:	ABC5D22E22 (1)
Weight, g/mol:	399.274659
ΔH_f, kcal/mol:	-155.19
Dipole, Da:	7.07
IP(EA), eV:	-8.49(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-3-[[6-[(4,6-dimethylpyridin-3-yl)methylamino]-9-propan-2-yl-7,8-dihydropurin-2-yl]amino]pentan-2-ol

Drug info:

PubChemData

Smile

CN(C1=CC(=C(C=C1)OC)OC(=O)CCCCCl)C2=CC(=O)OC3=CC=CC=C32

DOS

IR

Vibrations