Geometry & MOs

Info

ID:	38306
PubChem CID:	8029792
Reduced:	NO5C22H23 (1)
Stoich.:	AB5C22D23 (1)
Weight, g/mol:	382.2243
ΔH_f, kcal/mol:	-134.76
Dipole, Da:	3.29
IP(EA), eV:	-8.61(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[(2S)-1-oxo-1-spiro[1,5,6,7-tetrahydroimidazo[4,5-c]pyridin-5-ium-4,4'-piperidine]-1'-ylpropan-2-yl]-2-phenylacetamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C2=C1C(=O)/C(=C/C3=CC=C(C=C3)OC)/O2)CN4CCOCC4)O

DOS

IR

Vibrations