Geometry & MOs

Info

ID:	3269
PubChem CID:	9418
Reduced:	ClON3C18H22 (1)
Stoich.:	ABC3D18E22 (1)
Weight, g/mol:	331.14514
ΔH_f, kcal/mol:	-20.78
Dipole, Da:	5.46
IP(EA), eV:	-9.08(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl-[2-(11-methyl-6-oxobenzo[b][1,4]benzodiazepin-5-yl)ethyl]azanium;chloride

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C(=O)N(C3=CC=CC=C31)CC[NH+](C)C.[Cl-]

DOS

IR

Vibrations