Geometry & MOs

Info

ID:	406175
PubChem CID:	135076762
Reduced:	BrFN2O2C31H32 (1)
Stoich.:	ABC2D2E31F32 (1)
Weight, g/mol:	236.015956
ΔH_f, kcal/mol:	-71.98
Dipole, Da:	5.24
IP(EA), eV:	-8.72(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-chloro-3-[2-(chloromethyl)phenyl]benzene

Drug info:

PubChemData

Smile

CCN1C2=C(C=C(C=C2)Br)N=C(C3=CC4=C(C=C31)C(CCC4(C)C)(C)C)C5=C(C=C(C=C5)C(=O)OC)F

DOS

IR

Vibrations