Geometry & MOs

Info

ID:	371272
PubChem CID:	127344633
Reduced:	FON5C19H24 (1)
Stoich.:	ABC5D19E24 (1)
Weight, g/mol:	399.243439
ΔH_f, kcal/mol:	-42.34
Dipole, Da:	2.35
IP(EA), eV:	-8.55(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-4-(2-methylpyrazol-3-yl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)F)N2CCCC(C2)NC(=O)N3CCN4C=CN=C4C3

DOS

IR

Vibrations