Geometry & MOs

Info

ID:	189622
PubChem CID:	77882306
Reduced:	ClN4O4H19C21 (1)
Stoich.:	AB4C4D19E21 (1)
Weight, g/mol:	520.199822
ΔH_f, kcal/mol:	61.45
Dipole, Da:	25.13
IP(EA), eV:	-6.87(-3.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-benzhydryloxy-2-benzyl-4-(4-cyanophenoxy)-1-oxobutan-2-yl]carbamic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2NN([N+](=C3C=CC=CC3=O)N2)C4=CC=CC=C4OCC(=O)O.[Cl-]

DOS

IR

Vibrations