Geometry & MOs

Info

ID:	336983
PubChem CID:	127256548
Reduced:	PN2Na2O9C13H15 (1)
Stoich.:	AB2C2D9E13F15 (1)
Weight, g/mol:	296.188863
ΔH_f, kcal/mol:	-559.05
Dipole, Da:	12.51
IP(EA), eV:	-9.27(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-methylpropyl]-N-methylhydroxylamine

Drug info:

PubChemData

Smile

C=CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(CC(=O)[O-])[O-])O.[Na+].[Na+]

DOS

IR

Vibrations