Geometry & MOs

Info

ID:	141332
PubChem CID:	52862191
Reduced:	SN2O2C23H24 (1)
Stoich.:	AB2C2D23E24 (1)
Weight, g/mol:	296.201439
ΔH_f, kcal/mol:	-19.03
Dipole, Da:	2.15
IP(EA), eV:	-8.79(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

6-[2-[(2-methylpropan-2-yl)oxy]ethyl]-6,7-dihydro-5H-benzo[d][2]benzazepin-6-ium

Drug info:

PubChemData

Smile

CC(C)OC(=O)CC1=NC(=CS1)CN2CC3=CC=CC=C3C4=CC=CC=C4C2

DOS

IR

Vibrations