Geometry & MOs

Info

ID:	401285
PubChem CID:	135050817
Reduced:	ClNO6H16C20 (1)
Stoich.:	ABC6D16E20 (1)
Weight, g/mol:	255.114524
ΔH_f, kcal/mol:	42.8
Dipole, Da:	8.12
IP(EA), eV:	-8.97(-4.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-(18O)oxidanylidene-1-phenylpropan-2-yl)benzamide

Drug info:

PubChemData

Smile

C[N+]1=C2C=CC=CC2=C(O1)/C=C/C3=C(C=CC4=CC=CC=C43)O.[O-]Cl(=O)(=O)=O

DOS

IR

Vibrations