Geometry & MOs

Info

ID:	388571
PubChem CID:	134989532
Reduced:	ON6H8C11 (1)
Stoich.:	AB6C8D11 (1)
Weight, g/mol:	300.01235
ΔH_f, kcal/mol:	85.48
Dipole, Da:	3.25
IP(EA), eV:	-10.33(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-1H-3-benzazepin-3-ium-2-amine;iodide

Drug info:

PubChemData

Smile

CC(=O)NC1=NC(=NC(=N1)C2=CN=CC=C2)C#N

DOS

IR

Vibrations