Geometry & MOs

Info

ID:	155785
PubChem CID:	56367546
Reduced:	O3N4C23H26 (1)
Stoich.:	A3B4C23D26 (1)
Weight, g/mol:	448.227454
ΔH_f, kcal/mol:	-39.81
Dipole, Da:	3.67
IP(EA), eV:	-8.83(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazole-4-carbonyl]piperidin-3-yl]butanamide

Drug info:

PubChemData

Smile

CCCC(=O)NC1CCCN(C1)C(=O)C2=CC(=NN2C3=CC=CC=C3)C4=CC=CO4

DOS

IR

Vibrations