Geometry & MOs

Info

ID:	394144
PubChem CID:	135022415
Reduced:	O6C25H32 (1)
Stoich.:	A6B25C32 (1)
Weight, g/mol:	166.123189
ΔH_f, kcal/mol:	-233.01
Dipole, Da:	1.38
IP(EA), eV:	-8.07(0.12)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

9-methyl-11-oxa-9-azoniatricyclo[6.2.1.01,6]undec-9-ene

Drug info:

PubChemData

Smile

C[C@@]1([C@@H]2CC3=CC(=C(C=C3C4=CC(=C(C=C4C[C@H]2C(O1)(C)C)OC)OC)OC)OC)O

DOS

IR

Vibrations