Geometry & MOs

Info

ID:	244279
PubChem CID:	99319661
Reduced:	N4O4C23H26 (1)
Stoich.:	A4B4C23D26 (1)
Weight, g/mol:	406.200491
ΔH_f, kcal/mol:	-81.59
Dipole, Da:	4.61
IP(EA), eV:	-9.15(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-(furan-2-carbonyl)-N-[(1R)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]piperidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1C2=CC=CC=C2)[C@@H](C)NC(=O)C3=CC(=C(C=C3)OCC(=O)NC)OC

DOS

IR

Vibrations