Geometry & MOs

Info

ID:	416206
PubChem CID:	135089216
Reduced:	ClN3O3C18H24 (1)
Stoich.:	AB3C3D18E24 (1)
Weight, g/mol:	403.189592
ΔH_f, kcal/mol:	-122.85
Dipole, Da:	6.04
IP(EA), eV:	-8.56(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-[4-(1H-pyrazol-5-yl)phenyl]methanone

Drug info:

PubChemData

Smile

COCCN1CC(CC1=O)NC(=O)C2=CC(=C(C=C2)N3CCCC3)Cl

DOS

IR

Vibrations