Geometry & MOs

Info

ID:	51105
PubChem CID:	12013729
Reduced:	OH14C21 (1)
Stoich.:	AB14C21 (1)
Weight, g/mol:	284.120115
ΔH_f, kcal/mol:	49.09
Dipole, Da:	1.22
IP(EA), eV:	-8.33(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,11S)-7-methyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),3,5,7,9,14,16,18,20-nonaene

Drug info:

PubChemData

Smile

CC1=C2C=CC3=C(C2=CC=C1)C4=C(O3)C=CC5=CC=CC=C54

DOS

IR

Vibrations