Geometry & MOs

Info

ID:	176475
PubChem CID:	76055660
Reduced:	N2O4C23H32 (1)
Stoich.:	A2B4C23D32 (1)
Weight, g/mol:	574.469616
ΔH_f, kcal/mol:	-154.24
Dipole, Da:	5.79
IP(EA), eV:	-8.8(0.08)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

11-(3,7-dimethyl-2,6-dioxo-5H-purin-7-ium-1-yl)-N-pentadecylundecanamide

Drug info:

PubChemData

Smile

C1CC2C(C(C1O2)CCNCC(=O)NC3=CC=CC=C3)CC=CCCCC(=O)O

DOS

IR

Vibrations