Geometry & MOs

Info

ID:	394993
PubChem CID:	135024364
Reduced:	ON2C33H34 (1)
Stoich.:	AB2C33D34 (1)
Weight, g/mol:	144.042259
ΔH_f, kcal/mol:	17.14
Dipole, Da:	2.37
IP(EA), eV:	-8.5(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,5S)-3,8,9-trioxatricyclo[4.2.1.02,4]nonan-5-ol

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2C3CCC(C3)(C2C(=O)NC4=CC=CC5=C4N=CC=C5)C6=CC(=C(C=C6)C)C)C

DOS

IR

Vibrations