Geometry & MOs

Info

ID:	211664
PubChem CID:	81049292
Reduced:	ClFON2C16H22 (1)
Stoich.:	ABCD2E16F22 (1)
Weight, g/mol:	328.043313
ΔH_f, kcal/mol:	-110.04
Dipole, Da:	7.88
IP(EA), eV:	-8.91(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-chloro-2-[chloro-(2,6-dimethoxyphenyl)methyl]-5-fluoro-4-methylbenzene

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1F)Cl)C(CC2(CCCC2)CC(=O)N)N

DOS

IR

Vibrations