Geometry & MOs

Info

ID:	132747
PubChem CID:	51412102
Reduced:	N2O4H17C20 (1)
Stoich.:	A2B4C17D20 (1)
Weight, g/mol:	294.243304
ΔH_f, kcal/mol:	-50.97
Dipole, Da:	11.61
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.048256
Charge, e:	1

Chem-info

IUPAC name:

[(1S,2R,3S,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl] 2-(1-methylpiperidin-1-ium-1-yl)acetate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)NC2=CC=C(C=C2)NC(=O)[C@H]3[C@H]4C=C[C@@H]([C@@H]3C(=O)[O-])O4

DOS

IR

Vibrations