Geometry & MOs

Info

ID:	12200
PubChem CID:	132251
Reduced:	O3H18C20 (1)
Stoich.:	A3B18C20 (1)
Weight, g/mol:	306.125594
ΔH_f, kcal/mol:	-24.23
Dipole, Da:	3.55
IP(EA), eV:	-8.7(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

16,19-dimethyl-4-oxapentacyclo[9.8.0.02,8.03,5.012,17]nonadeca-1(11),2(8),9,12,14,16,18-heptaene-6,7-diol

Drug info:

PubChemData

Smile

CC1=C2C=C(C3=C(C2=CC=C1)C=CC4=C3C5C(O5)C(C4O)O)C

DOS

IR

Vibrations