Geometry & MOs

Info

ID:	124798
PubChem CID:	50896495
Reduced:	NSO2C13H19 (1)
Stoich.:	ABC2D13E19 (1)
Weight, g/mol:	222.984777
ΔH_f, kcal/mol:	-82.9
Dipole, Da:	8.44
IP(EA), eV:	-9.17(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-1-(difluoromethoxy)-2-nitrobenzene

Drug info:

PubChemData

Smile

CC1CCCC(N1CC2=CC=C(S2)C(=O)O)C

DOS

IR

Vibrations