Geometry & MOs

Info

ID:	167274
PubChem CID:	74800089
Reduced:	N2F3O3C29H29 (1)
Stoich.:	A2B3C3D29E29 (1)
Weight, g/mol:	425.226274
ΔH_f, kcal/mol:	-235.36
Dipole, Da:	5.7
IP(EA), eV:	-9.26(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[2-methoxy-1'-(3-methylbut-2-enyl)spiro[1,2-dihydroindene-3,4'-piperidin-1-ium]-1-yl]-2-thiophen-2-ylacetamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)CN2CC(CC2C(=O)OC)NC(=O)C3=CC=CC=C3C4=CC=C(C=C4)C(F)(F)F

DOS

IR

Vibrations