Geometry & MOs

Info

ID:	155900
PubChem CID:	56368221
Reduced:	ON5H21C22 (1)
Stoich.:	AB5C21D22 (1)
Weight, g/mol:	468.216141
ΔH_f, kcal/mol:	67.95
Dipole, Da:	8.54
IP(EA), eV:	-9.25(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-benzyl-5-(2-methylphenyl)pyrazol-3-yl]-1-(furan-2-carbonyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(=NN1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=NC=C4

DOS

IR

Vibrations