Geometry & MOs

Info

ID:	125288
PubChem CID:	50918816
Reduced:	O7C16H18 (1)
Stoich.:	A7B16C18 (1)
Weight, g/mol:	264.136159
ΔH_f, kcal/mol:	-299.22
Dipole, Da:	5.53
IP(EA), eV:	-9.84(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S,3R,5S,8S,10S,12R)-1,2,6-trimethylspiro[4,9-dioxatetracyclo[8.2.1.02,8.03,5]tridec-6-ene-13,2'-oxirane]-12-ol

Drug info:

PubChemData

Smile

C1[C@H](O[C@H]2C3C1[C@@H](C[C@]3(CO2)O)OC(=O)C4=CC=C(C=C4)O)O

DOS

IR

Vibrations