Geometry & MOs

Info

ID:	388572
PubChem CID:	134989533
Reduced:	IN2C11H13 (1)
Stoich.:	AB2C11D13 (1)
Weight, g/mol:	173.107873
ΔH_f, kcal/mol:	50.11
Dipole, Da:	11.05
IP(EA), eV:	-7.95(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[N+]1=C(CC2=CC=CC=C2C=C1)N.[I-]

DOS

IR

Vibrations