Geometry & MOs

Info

ID:	390555
PubChem CID:	134999689
Reduced:	N5H15C18 (1)
Stoich.:	A5B15C18 (1)
Weight, g/mol:	302.188195
ΔH_f, kcal/mol:	152.4
Dipole, Da:	5.31
IP(EA), eV:	-8.85(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,8R,11R)-8-butoxy-11-ethoxy-1-methyl-13-oxatricyclo[7.3.1.02,7]trideca-2,4,6,9-tetraene

Drug info:

PubChemData

Smile

C/C(=N\N)/C1=NN(C(=C1C#N)C2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations