Geometry & MOs

Info

ID:	211724
PubChem CID:	81051043
Reduced:	O2N3C13H15 (1)
Stoich.:	A2B3C13D15 (1)
Weight, g/mol:	301.983212
ΔH_f, kcal/mol:	-29.29
Dipole, Da:	2.39
IP(EA), eV:	-9.87(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C#N)NC(C2CC2)C(=O)O

DOS

IR

Vibrations