Geometry & MOs

Info

ID:	204613
PubChem CID:	79988801
Reduced:	NOSC11H19 (1)
Stoich.:	ABCD11E19 (1)
Weight, g/mol:	227.134385
ΔH_f, kcal/mol:	-38.24
Dipole, Da:	1.99
IP(EA), eV:	-8.86(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-ethoxy-1-(3-methylthiophen-2-yl)ethyl]propan-1-amine

Drug info:

PubChemData

Smile

CCNC(COCC)C1=C(C=CS1)C

DOS

IR

Vibrations