Geometry & MOs

Info

ID:	291535
PubChem CID:	113384801
Reduced:	NSO2C13H19 (1)
Stoich.:	ABC2D13E19 (1)
Weight, g/mol:	277.095892
ΔH_f, kcal/mol:	-79.38
Dipole, Da:	4.03
IP(EA), eV:	-8.76(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-(2-thiophen-3-ylethylsulfanyl)phenyl]methyl]ethanamine

Drug info:

PubChemData

Smile

CC(C)OC(=O)CSC1=CC=C(C=C1)CNC

DOS

IR

Vibrations