Geometry & MOs

Info

ID:	52989
PubChem CID:	14709352
Reduced:	ClNO5C14H16 (1)
Stoich.:	ABC5D14E16 (1)
Weight, g/mol:	247.099714
ΔH_f, kcal/mol:	-4.86
Dipole, Da:	18.0
IP(EA), eV:	-9.68(-2.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(C[N+]2=CC=CC=C2)O.[O-]Cl(=O)(=O)=O

DOS

IR

Vibrations