Geometry & MOs

Info

ID:	425143
PubChem CID:	135125304
Reduced:	N2O4C25H26 (1)
Stoich.:	A2B4C25D26 (1)
Weight, g/mol:	430.189257
ΔH_f, kcal/mol:	-107.93
Dipole, Da:	3.53
IP(EA), eV:	-8.42(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-oxolan-2-yl]-(6-quinolin-3-ylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-yl)methanone

Drug info:

PubChemData

Smile

CCC(=O)N1CCC2(CC1)OCC3=C(O2)C=CC(=C3)C4=C(C5=C(C=CC=N5)C=C4)OC

DOS

IR

Vibrations