Geometry & MOs

Info

ID:	168815
PubChem CID:	75022458
Reduced:	NO2C25H37 (1)
Stoich.:	AB2C25D37 (1)
Weight, g/mol:	434.146931
ΔH_f, kcal/mol:	-100.25
Dipole, Da:	5.56
IP(EA), eV:	-8.27(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(aminomethyl)-2-[6-[(5-chloro-2-methoxyphenyl)methylamino]purin-9-yl]-5-(hydroxymethyl)oxolan-3-ol

Drug info:

PubChemData

Smile

CCCN(CC=CC(=CC(=O)O)C)C1=CC2=C(C=C1C)C(CCC2(C)C)(C)C

DOS

IR

Vibrations