Geometry & MOs

Info

ID:	244291
PubChem CID:	99319710
Reduced:	F2O3N4C26H28 (1)
Stoich.:	A2B3C4D26E28 (1)
Weight, g/mol:	482.212947
ΔH_f, kcal/mol:	-162.11
Dipole, Da:	9.19
IP(EA), eV:	-9.32(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-[2-(difluoromethoxy)benzoyl]-N-[(1R)-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