Geometry & MOs

Info

ID:	393838
PubChem CID:	135021806
Reduced:	ON2C7H11 (2)
Stoich.:	AB2C7D11 (2)
Weight, g/mol:	272.089603
ΔH_f, kcal/mol:	3.21
Dipole, Da:	3.72
IP(EA), eV:	-8.3(0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,5S,9R,11R,15R)-8-hydroxy-13,13-dimethyl-2,6,10,12,14-pentaoxatetracyclo[7.6.0.01,5.011,15]pentadecan-3-one

Drug info:

PubChemData

Smile

CN1CN(C=C1)[C@H]2CO[C@H]3C2OCC3N4CN(C=C4)C

DOS

IR

Vibrations