Geometry & MOs

Info

ID:	190598
PubChem CID:	78027154
Reduced:	N3O3C21H23 (1)
Stoich.:	A3B3C21D23 (1)
Weight, g/mol:	553.150656
ΔH_f, kcal/mol:	-25.83
Dipole, Da:	8.44
IP(EA), eV:	-8.07(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[[2-[7-chloro-5-(2,3-dimethoxyphenyl)-1-(2,2-dimethylpropyl)-2-oxo-5H-4,1-benzoxazepin-3-yl]acetyl]amino]methoxy-hydroxy-oxophosphanium

Drug info:

PubChemData

Smile

C1CNC2NC1=C3C=CC(=O)C(=C3)OCC=CCOCC4=CC(=CC=C4)N2

DOS

IR

Vibrations