Geometry & MOs

Info

ID:	211712
PubChem CID:	81050248
Reduced:	N3O3C11H15 (1)
Stoich.:	A3B3C11D15 (1)
Weight, g/mol:	393.91883
ΔH_f, kcal/mol:	-125.99
Dipole, Da:	3.76
IP(EA), eV:	-9.1(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C(=O)N)NCCC(=O)O

DOS

IR

Vibrations