Geometry & MOs

Info

ID:	51318
PubChem CID:	12013964
Reduced:	O13C83H108 (1)
Stoich.:	A13B83C108 (1)
Weight, g/mol:	640.174795
ΔH_f, kcal/mol:	-428.02
Dipole, Da:	11.56
IP(EA), eV:	-8.02(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-2-(1-hydroxycyclooctyl)ethenyl]-phenyltin;quinolin-8-ol

Drug info:

Smile

CCCOC1=CC(=C(C=C1)OCCC)/C=C/C2=CC(=C(C=C2OCCC)/C=C/C3=CC(=C(C=C3OCCC)/C=C/C4=CC(=C(C=C4OCCC)/C=C/C5=CC(=C(C=C5OCCC)/C=C/C6=CC(=C(C=C6OCCC)C=O)OCCC)OCCC)OCCC)OCCC)OCCC

DOS

IR

Vibrations