Geometry & MOs

Info

ID:	242580
PubChem CID:	97857427
Reduced:	FN2O2C18H21 (1)
Stoich.:	AB2C2D18E21 (1)
Weight, g/mol:	327.194677
ΔH_f, kcal/mol:	-85.79
Dipole, Da:	4.35
IP(EA), eV:	-8.26(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[[(2R,4S,5R)-1,2,5-trimethylpiperidin-4-yl]amino]phenyl]furan-3-carboxamide

Drug info:

PubChemData

Smile

C[C@H](C1=CC=CC=C1F)NC2=C(C=CC(=C2)C(=O)N(C)C)OC

DOS

IR

Vibrations