Geometry & MOs

Info

ID:	264023
PubChem CID:	103418150
Reduced:	FOSN3H14C15 (1)
Stoich.:	ABCD3E14F15 (1)
Weight, g/mol:	284.119464
ΔH_f, kcal/mol:	-22.24
Dipole, Da:	5.95
IP(EA), eV:	-8.56(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-amino-5-[4-(hydroxymethyl)piperidin-1-yl]thiophene-2-carboxylate

Drug info:

PubChemData

Smile

CC(=O)C1=C(C(=C(S1)N(C)CC2=CC=C(C=C2)F)C#N)N

DOS

IR

Vibrations