Geometry & MOs

Info

ID:	322212
PubChem CID:	126669224
Reduced:	ClFN2O2C29H30 (1)
Stoich.:	ABC2D2E29F30 (1)
Weight, g/mol:	490.274405
ΔH_f, kcal/mol:	-89.87
Dipole, Da:	3.26
IP(EA), eV:	-8.57(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-(3-tert-butylphenyl)-2-(1-ethylpyrazol-4-yl)-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(=CC=C1)NC(=O)C2CCCN([C@H]2C3=CC=CC=C3)C(=O)C4=C(C=CC=C4Cl)F

DOS

IR

Vibrations