Geometry & MOs

Info

ID:	170864
PubChem CID:	75287427
Reduced:	O2C13H18 (1)
Stoich.:	A2B13C18 (1)
Weight, g/mol:	384.181093
ΔH_f, kcal/mol:	-81.93
Dipole, Da:	2.44
IP(EA), eV:	-9.97(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-3,4,6,7,9,10,19,22-octazatetracyclo[22.4.0.04,8.012,17]octacosa-1(28),2,5,7,10,12,14,16,18,22,24,26-dodecaene

Drug info:

PubChemData

Smile

C1CCC(CC1)C2C3=CC(=O)CC3CO2

DOS

IR

Vibrations