Geometry & MOs

Info

ID:	85802
PubChem CID:	49879351
Reduced:	N2O4H14C15 (1)
Stoich.:	A2B4C14D15 (1)
Weight, g/mol:	313.15904
ΔH_f, kcal/mol:	-82.22
Dipole, Da:	4.31
IP(EA), eV:	-9.49(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-fluorophenyl)methyl]-1-pyridin-4-ylpiperidine-3-carboxamide

Drug info:

PubChemData

Smile

COC(=O)C1=C(OC=N1)C2=CC=CC=C2C(=O)NC3CC3

DOS

IR

Vibrations