Geometry & MOs

Info

ID:	383430
PubChem CID:	134975151
Reduced:	N2O4C35H50 (1)
Stoich.:	A2B4C35D50 (1)
Weight, g/mol:	194.13068
ΔH_f, kcal/mol:	-178.46
Dipole, Da:	3.66
IP(EA), eV:	-8.35(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-butoxybicyclo[2.2.2]oct-5-en-2-one

Drug info:

PubChemData

Smile

CCOC(=O)[C@@H](CC(C1CCCCN1[C@H](C)C2=CC=CC=C2)C(=O)OCC)[C@H]3CCCCN3[C@@H](C)C4=CC=CC=C4

DOS

IR

Vibrations