Geometry & MOs

Info

ID:	448263
PubChem CID:	135289714
Reduced:	BrClF3N4H7C13 (1)
Stoich.:	ABC3D4E7F13 (1)
Weight, g/mol:	210.065635
ΔH_f, kcal/mol:	-60.91
Dipole, Da:	4.01
IP(EA), eV:	-9.6(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-cyclopropyl-2-ethynyl-1-(trifluoromethyl)benzene

Drug info:

PubChemData

Smile

CC1=CN=C(N=C1C2=CN=C3N2C=C(C(=C3)C(F)(F)F)Br)Cl

DOS

IR

Vibrations