Geometry & MOs

Info

ID:	371267
PubChem CID:	127344623
Reduced:	FON5C18H22 (1)
Stoich.:	ABC5D18E22 (1)
Weight, g/mol:	385.227789
ΔH_f, kcal/mol:	-39.42
Dipole, Da:	2.8
IP(EA), eV:	-8.45(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(3-fluorophenyl)piperidin-3-yl]-4-(1-methylpyrazol-4-yl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

C1CC(CN(C1)C2=CC(=CC=C2)F)NC(=O)N3CCN4C=CN=C4C3

DOS

IR

Vibrations