Geometry & MOs

Info

ID:	166309
PubChem CID:	74668333
Reduced:	O2N4C23H27 (1)
Stoich.:	A2B4C23D27 (1)
Weight, g/mol:	482.221045
ΔH_f, kcal/mol:	4.28
Dipole, Da:	4.43
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.751869
Charge, e:	1

Chem-info

IUPAC name:

1-(4-chlorobenzoyl)-N-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidin-1-ium]-4-yl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC2=NC(=CN12)C(=O)NC3CC4(CC[NH+](CC4)C)OC5=CC=CC=C35

DOS

IR

Vibrations