Geometry & MOs

Info

ID:	49654
PubChem CID:	11533476
Reduced:	N3O5C29H33 (1)
Stoich.:	A3B5C29D33 (1)
Weight, g/mol:	413.246713
ΔH_f, kcal/mol:	-137.5
Dipole, Da:	11.13
IP(EA), eV:	-8.74(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1'-[2-(1-phenyl-4,5,6,7-tetrahydroindazol-4-yl)ethyl]spiro[1H-2-benzofuran-3,4'-piperidine]

Drug info:

PubChemData

Smile

C1CC(C2=C(C1)N(N=C2)C3=CC=CC=C3)CCN4CCC5(CC4)C6=CC=CC=C6CO5.C(=O)(C(=O)O)O

DOS

IR

Vibrations