Geometry & MOs

Info

ID:	256644
PubChem CID:	103140424
Reduced:	NOSC14H21 (1)
Stoich.:	ABCD14E21 (1)
Weight, g/mol:	279.165686
ΔH_f, kcal/mol:	-44.27
Dipole, Da:	3.5
IP(EA), eV:	-8.46(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-1-[3-[(5-methyloxolan-2-yl)methylsulfanyl]phenyl]ethanamine

Drug info:

PubChemData

Smile

CC1CCC(O1)CSC2=CC=CC(=C2)C(C)N

DOS

IR

Vibrations