Geometry & MOs

Info

ID:	199245
PubChem CID:	79222399
Reduced:	OSN2C13H18 (1)
Stoich.:	ABC2D13E18 (1)
Weight, g/mol:	284.13472
ΔH_f, kcal/mol:	-23.31
Dipole, Da:	3.62
IP(EA), eV:	-8.51(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-N-ethylbenzene-1,2-diamine

Drug info:

PubChemData

Smile

C1CC(C(=O)NC1)NCCSC2=CC=CC=C2

DOS

IR

Vibrations