Geometry & MOs

Info

ID:	212920
PubChem CID:	81062245
Reduced:	BrON3C12H22 (1)
Stoich.:	ABC3D12E22 (1)
Weight, g/mol:	251.134385
ΔH_f, kcal/mol:	-23.03
Dipole, Da:	2.95
IP(EA), eV:	-9.06(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-ethoxy-N-methylethanamine

Drug info:

PubChemData

Smile

CCN1C(=C(C(=N1)C)Br)CN(C)CCOCC

DOS

IR

Vibrations