Geometry & MOs

Info

ID:	211710
PubChem CID:	81050153
Reduced:	N4C15H26 (1)
Stoich.:	A4B15C26 (1)
Weight, g/mol:	315.998862
ΔH_f, kcal/mol:	4.95
Dipole, Da:	3.04
IP(EA), eV:	-8.29(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-chloro-2-[1-chloro-2-(4-chlorophenyl)ethyl]-5-fluoro-4-methylbenzene

Drug info:

PubChemData

Smile

CCN1CCN(CC1C)C2=C(C(=NC(=C2)C)C)CN

DOS

IR

Vibrations