Geometry & MOs

Info

ID:	27435
PubChem CID:	821319
Reduced:	O2C15H24 (1)
Stoich.:	A2B15C24 (1)
Weight, g/mol:	236.17763
ΔH_f, kcal/mol:	-99.06
Dipole, Da:	3.13
IP(EA), eV:	-9.73(0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1aR,4aR,7R,7aS,7bR)-7-hydroxy-1,1,4a,7-tetramethyl-2,3,5,6,7a,7b-hexahydro-1aH-cyclopropa[e]azulen-4-one

Drug info:

PubChemData

Smile

C[C@@]12CC[C@@]([C@H]1[C@H]3[C@@H](C3(C)C)CCC2=O)(C)O

DOS

IR

Vibrations