Geometry & MOs

Info

ID:	186550
PubChem CID:	77443970
Reduced:	SN2O3H28C29 (1)
Stoich.:	AB2C3D28E29 (1)
Weight, g/mol:	452.340279
ΔH_f, kcal/mol:	-39.48
Dipole, Da:	3.73
IP(EA), eV:	-8.36(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-ethyl-2-methylideneoxane-4-carboxamide

Drug info:

PubChemData

Smile

C1CC(N(C1)C(=O)OCC2=CC=CC=C2)C(=O)C3=CNC4=C3C=C(C=C4)CCSC5=CC=CC=C5

DOS

IR

Vibrations