Geometry & MOs

Info

ID:	394111
PubChem CID:	135022360
Reduced:	OC4H6 (4)
Stoich.:	AB4C6 (4)
Weight, g/mol:	280.167459
ΔH_f, kcal/mol:	-53.5
Dipole, Da:	2.58
IP(EA), eV:	-9.64(1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S,3S,8R,9R,10S,14S)-14-methoxy-5,5,10-trimethyl-7,13-dioxapentacyclo[7.4.1.02,8.03,6.06,12]tetradecan-10-ol

Drug info:

PubChemData

Smile

C[C@@]1(CC2C34[C@@H](CC3(C)C)[C@H]5[C@H]([C@@H]1[C@H]([C@@H]5O2)OC)O4)O

DOS

IR

Vibrations