Geometry & MOs

Info

ID:	380245
PubChem CID:	134970625
Reduced:	O2C21H26 (1)
Stoich.:	A2B21C26 (1)
Weight, g/mol:	432.32396
ΔH_f, kcal/mol:	-45.92
Dipole, Da:	2.28
IP(EA), eV:	-9.09(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6R,7S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-15,16-diol

Drug info:

PubChemData

Smile

C=CCC(C[C@@H](CCC1=CC=CC=C1)OCC2=CC=CC=C2)O

DOS

IR

Vibrations