Geometry & MOs

Info

ID:	394268
PubChem CID:	135022661
Reduced:	ON2H28C36 (1)
Stoich.:	AB2C28D36 (1)
Weight, g/mol:	141.078979
ΔH_f, kcal/mol:	159.22
Dipole, Da:	2.69
IP(EA), eV:	-8.17(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-azoniabicyclo[3.1.1]heptane-1-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)/C=C\2/C3=C([C@H](O[C@H]3C4=CC=CC=C4)C5=CC=CC=C5)N(N2C6=CC=CC=C6)C7=CC=CC=C7

DOS

IR

Vibrations