Geometry & MOs

Info

ID:	242581
PubChem CID:	97857434
Reduced:	O2N3C19H25 (1)
Stoich.:	A2B3C19D25 (1)
Weight, g/mol:	327.194677
ΔH_f, kcal/mol:	-46.62
Dipole, Da:	2.19
IP(EA), eV:	-8.22(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[[(1S)-1-(1-methylpiperidin-4-yl)ethyl]amino]phenyl]furan-3-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1C[C@@H]([C@@H](CN1C)C)NC2=CC(=CC=C2)NC(=O)C3=COC=C3

DOS

IR

Vibrations