Geometry & MOs

Info

ID:	148639
PubChem CID:	53788307
Reduced:	OC15H20 (1)
Stoich.:	AB15C20 (1)
Weight, g/mol:	286.081438
ΔH_f, kcal/mol:	-44.12
Dipole, Da:	3.31
IP(EA), eV:	-9.05(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-hydroxy-9-[(2-nitrophenyl)methyl]purin-6-imine

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC2=C(CCC2CC=O)C=C1

DOS

IR

Vibrations