Geometry & MOs

Info

ID:	312603
PubChem CID:	126606751
Reduced:	O3H18C20 (1)
Stoich.:	A3B18C20 (1)
Weight, g/mol:	300.11503
ΔH_f, kcal/mol:	-37.88
Dipole, Da:	4.59
IP(EA), eV:	-8.62(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(13S)-2-oxapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(14),3,5,7,9,11,15,17,21-nonaen-13-ol

Drug info:

PubChemData

Smile

COC1=CC=C(C=CC1)C(=O)C2=C(C3=CC=CC=C3C=C2)OC

DOS

IR

Vibrations