Geometry & MOs

Info

ID:	48299
PubChem CID:	10538726
Reduced:	OC18H18 (1)
Stoich.:	AB18C18 (1)
Weight, g/mol:	251.224915
ΔH_f, kcal/mol:	7.9
Dipole, Da:	0.74
IP(EA), eV:	-8.12(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,3S,4R,9S,12R)-4-ethyl-8,8,12-trimethyl-2-oxa-7-azatricyclo[7.4.0.03,7]tridecane

Drug info:

PubChemData

Smile

CC1=C(C2=C(C1)C=CC=C2OCC3=CC=CC=C3)[13CH3]

DOS

IR

Vibrations