Geometry & MOs

Info

ID:	26094
PubChem CID:	638209
Reduced:	O5C24H32 (1)
Stoich.:	A5B24C32 (1)
Weight, g/mol:	212.120115
ΔH_f, kcal/mol:	-226.96
Dipole, Da:	8.9
IP(EA), eV:	-9.19(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S)-3,4,5-trimethyl-5,6-dihydrobenzo[f][1]benzofuran

Drug info:

PubChemData

Smile

C[C@@]12CC[C@@H](C([C@H]1CC[C@@]([C@H]2COC3=CC4=C(C=C3)C=CC(=O)O4)(C)O)(C)C)O

DOS

IR

Vibrations