Geometry & MOs

Info

ID:	422201
PubChem CID:	135117391
Reduced:	N2O3C24H30 (1)
Stoich.:	A2B3C24D30 (1)
Weight, g/mol:	432.204907
ΔH_f, kcal/mol:	-91.0
Dipole, Da:	5.74
IP(EA), eV:	-8.65(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-2-oxoethyl]-2-methylquinolin-4-one

Drug info:

PubChemData

Smile

CC[C@]1(CCC[C@H]2[C@@H]1CN(C2)C(=O)CN3C=C(C4=CC=CC=C43)C(=O)C5CC5)O

DOS

IR

Vibrations