Geometry & MOs

Info

ID:	45662
PubChem CID:	10516192
Reduced:	O3C17H18 (1)
Stoich.:	A3B17C18 (1)
Weight, g/mol:	270.183109
ΔH_f, kcal/mol:	-93.05
Dipole, Da:	2.21
IP(EA), eV:	-9.37(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1aS,2S,2aS,5aR,6S,6aR)-1a,6a-bis(hydroxymethyl)-2,4,4-trimethyl-1,2a,3,5,5a,6-hexahydrocyclopropa[f]indene-2,6-diol

Drug info:

PubChemData

Smile

COC(=O)[C@H](CC1=CC=CC=C1)[C@H](C2=CC=CC=C2)O

DOS

IR

Vibrations