Geometry & MOs

Info

ID:	70969
PubChem CID:	48414122
Reduced:	ClOF3N5C17H19 (1)
Stoich.:	ABC3D5E17F19 (1)
Weight, g/mol:	343.16444
ΔH_f, kcal/mol:	-156.75
Dipole, Da:	5.19
IP(EA), eV:	-8.91(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(2-nitrophenyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)C2CCN(CC2)C3=C(C=C(C=N3)C(F)(F)F)Cl

DOS

IR

Vibrations