Geometry & MOs

Info

ID:	393939
PubChem CID:	135022020
Reduced:	OC15H20 (1)
Stoich.:	AB15C20 (1)
Weight, g/mol:	242.079038
ΔH_f, kcal/mol:	-22.36
Dipole, Da:	0.78
IP(EA), eV:	-9.06(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S,6S,8S,11R)-4,4-dimethyl-3,5,7,10,14-pentaoxatetracyclo[6.6.0.01,11.02,6]tetradecan-13-one

Drug info:

PubChemData

Smile

C[C@H](C=C)[C@@H](C/C(=C/C1=CC=CC=C1)/C)O

DOS

IR

Vibrations