Geometry & MOs

Info

ID:	43241
PubChem CID:	10320053
Reduced:	O10C19H34 (1)
Stoich.:	A10B19C34 (1)
Weight, g/mol:	422.174276
ΔH_f, kcal/mol:	-458.91
Dipole, Da:	3.18
IP(EA), eV:	-10.2(0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1'-[5-(3-phenylphenyl)-1H-pyrazol-3-yl]spiro[furo[3,4-c]pyridine-3,4'-piperidine]-1-one

Drug info:

PubChemData

Smile

CCCCCC(C=C)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO[C@H]2[C@@H]([C@H]([C@H](CO2)O)O)O)O)O)O

DOS

IR

Vibrations