Geometry & MOs

Info

ID:	425336
PubChem CID:	135125964
Reduced:	SO2N3C21H21 (1)
Stoich.:	AB2C3D21E21 (1)
Weight, g/mol:	445.236542
ΔH_f, kcal/mol:	-29.51
Dipole, Da:	2.87
IP(EA), eV:	-8.79(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(1-methylisoquinolin-6-yl)-N-propan-2-yloxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide

Drug info:

PubChemData

Smile

C1CC2(CCN(CC2)C(=O)N)OC3=C1C=C(C=C3)C4=CC5=C(C=C4)N=CS5

DOS

IR

Vibrations