Geometry & MOs

Info

ID:	48477
PubChem CID:	10586603
Reduced:	ClNOSC11H18 (1)
Stoich.:	ABCDE11F18 (1)
Weight, g/mol:	247.016684
ΔH_f, kcal/mol:	-64.51
Dipole, Da:	3.5
IP(EA), eV:	-9.45(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,3-dichloropropan-2-yloxymethyl)-2-nitrosobenzene

Drug info:

PubChemData

Smile

CC[NH+](CC)CCC(=O)C1=CC=CS1.[Cl-]

DOS

IR

Vibrations