Geometry & MOs

Info

ID:	214302
PubChem CID:	84974998
Reduced:	F2N2O3C21H24 (1)
Stoich.:	A2B2C3D21E24 (1)
Weight, g/mol:	316.148359
ΔH_f, kcal/mol:	-173.39
Dipole, Da:	6.95
IP(EA), eV:	-8.26(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]piperidin-1-ium-3-carboxamide

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)C=CC(=O)NCC2=CC=C(C=C2)N(C)C)OC(F)F

DOS

IR

Vibrations