Geometry & MOs

Info

ID:	314001
PubChem CID:	126619467
Reduced:	O2C13H28 (1)
Stoich.:	A2B13C28 (1)
Weight, g/mol:	557.398128
ΔH_f, kcal/mol:	-158.36
Dipole, Da:	2.64
IP(EA), eV:	-10.08(2.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(7a-cycloheptyl-1,2,3,3a,4,5,6,7-octahydroindol-3-yl)-4-(2-cyclononyl-2,3-dihydro-1H-indol-3-yl)pyrrole-2,5-dione

Drug info:

PubChemData

Smile

CCC(CC)C(C)CCC(C(C)(C)O)O

DOS

IR

Vibrations