Geometry & MOs

Info

ID:	170510
PubChem CID:	75244493
Reduced:	O4C23H36 (1)
Stoich.:	A4B23C36 (1)
Weight, g/mol:	686.290773
ΔH_f, kcal/mol:	-229.35
Dipole, Da:	3.09
IP(EA), eV:	-9.83(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(4-chlorobutyl)-19-(4,4-dichlorobutyl)-3,14-dimethyltricyclo[18.2.2.29,12]hexacosa-1(22),9,11,20,23,25-hexaene-2,10,13,21,24,26-hexol

Drug info:

PubChemData

Smile

CC1C(C2CCC3(C2(CCC4C3CCC5(C4(CCC(C5)O)C)O)C)O1)C=O

DOS

IR

Vibrations