Geometry & MOs

Info

ID:	252223
PubChem CID:	103109891
Reduced:	ClON2C16H17 (1)
Stoich.:	ABC2D16E17 (1)
Weight, g/mol:	266.18167
ΔH_f, kcal/mol:	-22.0
Dipole, Da:	4.49
IP(EA), eV:	-8.59(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N-ethyl-1-N-methyl-2-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylmethyl)propane-1,2-diamine

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1N)CNC(=O)CC2=CC=C(C=C2)Cl

DOS

IR

Vibrations