Geometry & MOs

Info

ID:	388822
PubChem CID:	134990317
Reduced:	CaN2C5O5H6 (1)
Stoich.:	AB2C5D5E6 (1)
Weight, g/mol:	238.110613
ΔH_f, kcal/mol:	-271.64
Dipole, Da:	7.37
IP(EA), eV:	-9.63(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(NZ)-N-(11-methyl-6H-benzo[b][1]benzazepin-5-ylidene)hydroxylamine

Drug info:

PubChemData

Smile

C([C@H](C(=O)[O-])NC(=O)N)C(=O)[O-].[Ca+2]

DOS

IR

Vibrations