Geometry & MOs

Info

ID:	407703
PubChem CID:	135080458
Reduced:	O2C13H20 (1)
Stoich.:	A2B13C20 (1)
Weight, g/mol:	223.106925
ΔH_f, kcal/mol:	-84.73
Dipole, Da:	4.4
IP(EA), eV:	-9.21(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1-hydroxy-6-iminopurin-9-yl)butan-1-ol

Drug info:

PubChemData

Smile

CCCCC1=CC(=C(O1)CCCC)C=O

DOS

IR

Vibrations