Geometry & MOs

Info

ID:	294297
PubChem CID:	117451988
Reduced:	NSO2C15H23 (1)
Stoich.:	ABC2D15E23 (1)
Weight, g/mol:	281.14495
ΔH_f, kcal/mol:	-63.95
Dipole, Da:	2.72
IP(EA), eV:	-8.42(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-methoxy-3-(thian-4-yloxy)phenyl]-N-methylethanamine

Drug info:

PubChemData

Smile

CNCCC1=C(C(=CC=C1)OC2CCCSC2)OC

DOS

IR

Vibrations