Geometry & MOs

Info

ID:	175143
PubChem CID:	75860408
Reduced:	OF3N4C20H26 (1)
Stoich.:	AB3C4D20E26 (1)
Weight, g/mol:	362.190223
ΔH_f, kcal/mol:	-147.97
Dipole, Da:	8.55
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754278
Charge, e:	1

Chem-info

IUPAC name:

2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-[(1-propan-2-ylpiperidin-1-ium-3-yl)methyl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1CC2=CC=CC=C2)C)C(=O)NCC3CC[NH+](C3)CC(F)(F)F

DOS

IR

Vibrations