Geometry & MOs

Info

ID:	57510
PubChem CID:	22400347
Reduced:	ClNBr2O2F3H13C17 (1)
Stoich.:	ABC2D2E3F13G17 (1)
Weight, g/mol:	454.035034
ΔH_f, kcal/mol:	-176.45
Dipole, Da:	2.95
IP(EA), eV:	-9.47(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,3-dichloroprop-2-enoxy)-4-(3-phenoxyphenoxy)-2-(trifluoromethyl)benzene

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1OC/C(=C/Br)/Br)C)OC2=C(C=C(C=N2)C(F)(F)F)Cl

DOS

IR

Vibrations