Geometry & MOs

Info

ID:	216871
PubChem CID:	85086904
Reduced:	O2C21H26 (1)
Stoich.:	A2B21C26 (1)
Weight, g/mol:	310.19328
ΔH_f, kcal/mol:	2.05
Dipole, Da:	4.75
IP(EA), eV:	-8.54(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,10-diethoxypentacyclo[10.2.2.15,8.02,11.04,9]heptadeca-2,4(9),10,13-tetraene

Drug info:

PubChemData

Smile

CC12CCC3C(C1CCC2(C=C)O)C=CC4=CC(=O)C=CC34C

DOS

IR

Vibrations