Geometry & MOs

Info

ID:	26289
PubChem CID:	643708
Reduced:	O9H32C42 (1)
Stoich.:	A9B32C42 (1)
Weight, g/mol:	220.182715
ΔH_f, kcal/mol:	-236.94
Dipole, Da:	3.51
IP(EA), eV:	-8.87(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,5E,7S)-4,10-dimethylidene-7-propan-2-ylcyclodec-5-en-1-ol

Drug info:

PubChemData

Smile

C1=CC(=CC=C1/C=C/C2=C3[C@@H]([C@H](OC3=CC(=C2)O)C4=CC=C(C=C4)O)C5=CC(=C6[C@@H]([C@H](OC6=C5)C7=CC=C(C=C7)O)C8=CC(=CC(=C8)O)O)O)O

DOS

IR

Vibrations