Geometry & MOs

Info

ID:	39352
PubChem CID:	8140444
Reduced:	ClN2O2C18H21 (1)
Stoich.:	AB2C2D18E21 (1)
Weight, g/mol:	351.207253
ΔH_f, kcal/mol:	-48.09
Dipole, Da:	3.48
IP(EA), eV:	-9.19(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-[[[2-(6,7-dimethyl-1-benzofuran-3-yl)acetyl]amino]methyl]phenyl]methyl-dimethylazanium

Drug info:

PubChemData

Smile

CN(C)CC1=CC=CC=C1CNC(=O)COC2=CC(=CC=C2)Cl

DOS

IR

Vibrations