Geometry & MOs

Info

ID:	70991
PubChem CID:	48414151
Reduced:	O3N4H18C21 (1)
Stoich.:	A3B4C18D21 (1)
Weight, g/mol:	344.164854
ΔH_f, kcal/mol:	-29.87
Dipole, Da:	1.61
IP(EA), eV:	-9.64(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-fluorobenzoyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC4=CC=CC=C4

DOS

IR

Vibrations