Geometry & MOs

Info

ID:	406007
PubChem CID:	135076263
Reduced:	NCl2O2C17H17 (1)
Stoich.:	AB2C2D17E17 (1)
Weight, g/mol:	320.00236
ΔH_f, kcal/mol:	-59.97
Dipole, Da:	6.64
IP(EA), eV:	-8.96(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-bromocyclohex-2-en-1-yl)oxy-4-(trifluoromethyl)benzene

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)N(CC2=CC=C(C=C2)OC)C(=O)CCl)Cl

DOS

IR

Vibrations