Geometry & MOs

Info

ID:	127990
PubChem CID:	51025660
Reduced:	NO4C17H21 (1)
Stoich.:	AB4C17D21 (1)
Weight, g/mol:	403.259683
ΔH_f, kcal/mol:	-113.99
Dipole, Da:	4.87
IP(EA), eV:	-9.2(0.02)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-1-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-4-ium-1-yl]ethanone

Drug info:

PubChemData

Smile

CN1[C@@H]2CC(C[C@H]1[C@@H]3[C@@H]2O3)OC(=O)[C@@H](CO)C4=CC=CC=C4

DOS

IR

Vibrations