Geometry & MOs

Info

ID:	421578
PubChem CID:	135116254
Reduced:	NSO4C23H27 (1)
Stoich.:	ABC4D23E27 (1)
Weight, g/mol:	355.189592
ΔH_f, kcal/mol:	-132.0
Dipole, Da:	4.89
IP(EA), eV:	-8.99(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-ethylpyrazol-3-yl)-(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)methanone

Drug info:

PubChemData

Smile

COC1=CC=CC2=C1C3(CCN(CC3)C(=O)C4=CC=C(S4)C5CCCO5)OCC2

DOS

IR

Vibrations