Geometry & MOs

Info

ID:	322216
PubChem CID:	126669236
Reduced:	N5H11C17 (1)
Stoich.:	A5B11C17 (1)
Weight, g/mol:	586.357072
ΔH_f, kcal/mol:	153.57
Dipole, Da:	4.0
IP(EA), eV:	-9.04(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-(3-tert-butylphenyl)-2-[4-(3-ethyl-3-hydroxypentyl)phenyl]-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C#N)N2C=NC3=C2C=C(C=C3)C4=CNN=C4

DOS

IR

Vibrations