Geometry & MOs

Info

ID:	243048
PubChem CID:	99215279
Reduced:	SN3O3C22H23 (1)
Stoich.:	AB3C3D22E23 (1)
Weight, g/mol:	409.272927
ΔH_f, kcal/mol:	-30.96
Dipole, Da:	7.32
IP(EA), eV:	-8.49(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3-tert-butyl-5-ethyl-2-hydroxyphenyl)methyl]-N-(6-methylpyridin-2-yl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(=O)N2CCN(CC2)CN3C=C(OC3=S)C4=CC=CC=C4

DOS

IR

Vibrations