Geometry & MOs

Info

ID:	185683
PubChem CID:	77332094
Reduced:	O2N9C25H37 (1)
Stoich.:	A2B9C25D37 (1)
Weight, g/mol:	476.255419
ΔH_f, kcal/mol:	88.92
Dipole, Da:	5.77
IP(EA), eV:	-8.82(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[12-(4-chlorophenyl)-10-hydroxydodecyl]-3,7-dimethyl-4,5-dihydropurine-2,6-dione

Drug info:

PubChemData

Smile

CCCC1(CC(C1CC2NNNN2)CC3NNNN3)C(=O)NCC4=CC=C(C=C4)OC5=CC=CC=C5

DOS

IR

Vibrations