Geometry & MOs

Info

ID:	27425
PubChem CID:	821305
Reduced:	OC7H11 (2)
Stoich.:	AB7C11 (2)
Weight, g/mol:	222.16198
ΔH_f, kcal/mol:	-92.87
Dipole, Da:	4.0
IP(EA), eV:	-9.57(0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1aR,4aR,7S,7aS,7bR)-4a-hydroxy-1,1,7-trimethyl-1a,2,3,5,6,7,7a,7b-octahydrocyclopropa[e]azulen-4-one

Drug info:

PubChemData

Smile

C[C@H]1CC[C@]2([C@@H]1[C@@H]3[C@@H](C3(C)C)CCC2=O)O

DOS

IR

Vibrations