Geometry & MOs

Info

ID:	393833
PubChem CID:	135021801
Reduced:	NO4C14H19 (1)
Stoich.:	AB4C14D19 (1)
Weight, g/mol:	242.079038
ΔH_f, kcal/mol:	-156.28
Dipole, Da:	2.52
IP(EA), eV:	-9.72(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)N[C@H]1[C@H]2[C@@H](C(=CC1=O)C3CC3)OC(O2)(C)C

DOS

IR

Vibrations