Geometry & MOs

Info

ID:	244292
PubChem CID:	99319711
Reduced:	F2O3N4C26H28 (1)
Stoich.:	A2B3C4D26E28 (1)
Weight, g/mol:	482.212947
ΔH_f, kcal/mol:	-166.27
Dipole, Da:	5.32
IP(EA), eV:	-9.02(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-[2-(difluoromethoxy)benzoyl]-N-[(1S)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1C2=CC=CC=C2)[C@@H](C)NC(=O)[C@H]3CCCN(C3)C(=O)C4=CC=CC=C4OC(F)F

DOS

IR

Vibrations