Geometry & MOs

Info

ID:	426996
PubChem CID:	135154958
Reduced:	PN6O7C25H35 (1)
Stoich.:	AB6C7D25E35 (1)
Weight, g/mol:	239.992027
ΔH_f, kcal/mol:	-292.92
Dipole, Da:	10.73
IP(EA), eV:	-9.44(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-2-(2-chloroethyl)-1-(difluoromethoxy)benzene

Drug info:

PubChemData

Smile

CCCOC(=O)C(C)(C)NP(=O)(COC(C)CN1C=NC2=C(N=CN=C21)N)OCCC3=CC(=CC=C3)C(=O)O

DOS

IR

Vibrations