Geometry & MOs

Info

ID:	376033
PubChem CID:	134222033
Reduced:	BrNO2Cl3F3H20C24 (1)
Stoich.:	ABC2D3E3F20G24 (1)
Weight, g/mol:	166.115779
ΔH_f, kcal/mol:	-199.73
Dipole, Da:	2.26
IP(EA), eV:	-9.94(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-fluorobutan-2-yl)-4-methylbenzene

Drug info:

PubChemData

Smile

C=CCNC(=O)CCCC(=O)C1=C(C=C(C=C1)/C=C/C(C2=CC(=C(C(=C2)Cl)Cl)Cl)C(F)(F)F)Br

DOS

IR

Vibrations