Geometry & MOs

Info

ID:	151005
PubChem CID:	53790702
Reduced:	NOC10H19 (1)
Stoich.:	ABC10D19 (1)
Weight, g/mol:	401.206304
ΔH_f, kcal/mol:	-74.63
Dipole, Da:	1.3
IP(EA), eV:	-8.77(2.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-(cyclohexylmethyl)-8-hydroxy-1,3-dimethyl-7-propan-2-ylpurino[7,8-a]pyrimidine-2,4,6-trione

Drug info:

PubChemData

Smile

C1CCC(C1)NC2CCCC2O

DOS

IR

Vibrations