Geometry & MOs

Info

ID:	168752
PubChem CID:	75014362
Reduced:	O3C27H34 (1)
Stoich.:	A3B27C34 (1)
Weight, g/mol:	398.282095
ΔH_f, kcal/mol:	-59.41
Dipole, Da:	3.61
IP(EA), eV:	-9.01(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(17-hydroxy-2,18-dimethyl-7-oxapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5-dien-6-yl)-2,2-dimethylpropan-1-one

Drug info:

PubChemData

Smile

CC12CCC3C(C1CCC2(C#C)O)CCC4C3(CC5=C(C4)OC(=C5)C(=O)C6CC6)C

DOS

IR

Vibrations