Geometry & MOs

Info

ID:	202585
PubChem CID:	79692608
Reduced:	FNSO2H14C16 (1)
Stoich.:	ABCD2E14F16 (1)
Weight, g/mol:	364.01063
ΔH_f, kcal/mol:	-35.74
Dipole, Da:	3.84
IP(EA), eV:	-9.61(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(1-aminoethyl)piperidin-1-yl]-(5-iodothiophen-3-yl)methanone

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)F)CCNC(=O)C2=CSC(=C2)C#CCO

DOS

IR

Vibrations