Geometry & MOs

Info

ID:	174974
PubChem CID:	75840417
Reduced:	FN2C24H30 (1)
Stoich.:	AB2C24D30 (1)
Weight, g/mol:	338.190223
ΔH_f, kcal/mol:	67.31
Dipole, Da:	1.72
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754542
Charge, e:	1

Chem-info

IUPAC name:

N-[1-[1-(3-methylpiperidin-1-ium-1-yl)propan-2-ylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CN(CC1CCC[NH+](C1)CCC2=CC=CC=C2F)CC3=CC=C(C=C3)C#C

DOS

IR

Vibrations