Geometry & MOs

Info

ID:	294296
PubChem CID:	117451672
Reduced:	NSO3C14H19 (1)
Stoich.:	ABC3D14E19 (1)
Weight, g/mol:	281.14495
ΔH_f, kcal/mol:	-88.13
Dipole, Da:	3.19
IP(EA), eV:	-9.29(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-methoxy-3-(thian-3-yloxy)phenyl]-N-methylethanamine

Drug info:

PubChemData

Smile

C1CC(NC1)CC2=CC=CC=C2S(=O)(=O)C3COC3

DOS

IR

Vibrations