Geometry & MOs

Info

ID:	25427
PubChem CID:	624925
Reduced:	BrN2O2C17H21 (1)
Stoich.:	AB2C2D17E21 (1)
Weight, g/mol:	317.924931
ΔH_f, kcal/mol:	-60.77
Dipole, Da:	4.32
IP(EA), eV:	-9.38(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[dichloro(fluoro)methyl]-2,3,4,6-tetrafluoro-5-(trifluoromethyl)benzene

Drug info:

PubChemData

Smile

CC1=NN(C(C1)(C2CCCCC2)O)C(=O)C3=CC=C(C=C3)Br

DOS

IR

Vibrations