Geometry & MOs

Info

ID:	294019
PubChem CID:	117422383
Reduced:	NSO2C14H21 (1)
Stoich.:	ABC2D14E21 (1)
Weight, g/mol:	267.1293
ΔH_f, kcal/mol:	-87.49
Dipole, Da:	6.55
IP(EA), eV:	-9.51(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-methoxy-3-(thian-4-yloxy)phenyl]ethanamine

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)C)C2(CCCCC2)N

DOS

IR

Vibrations