Geometry & MOs

Info

ID:	423541
PubChem CID:	135119699
Reduced:	ClN3O3C17H20 (1)
Stoich.:	AB3C3D17E20 (1)
Weight, g/mol:	396.204907
ΔH_f, kcal/mol:	-88.71
Dipole, Da:	5.16
IP(EA), eV:	-9.32(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6,7-dimethoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-(2,6-dimethylpyridin-4-yl)methanone

Drug info:

PubChemData

Smile

CC1=CC(=NN1)C[C@@H]2CN(C[C@H]2O)C(=O)C3=CC(=CC(=C3)Cl)OC

DOS

IR

Vibrations