Geometry & MOs

Info

ID:	208857
PubChem CID:	80595614
Reduced:	NSC15H23 (1)
Stoich.:	ABC15D23 (1)
Weight, g/mol:	278.145285
ΔH_f, kcal/mol:	-6.13
Dipole, Da:	3.32
IP(EA), eV:	-8.55(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(ethylaminomethyl)phenyl]thiane-2-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)CNCC2CCCCS2

DOS

IR

Vibrations