Geometry & MOs

Info

ID:	424340
PubChem CID:	135122291
Reduced:	BrClFN3H4C8 (1)
Stoich.:	ABCD3E4F8 (1)
Weight, g/mol:	266.032142
ΔH_f, kcal/mol:	21.82
Dipole, Da:	1.71
IP(EA), eV:	-9.74(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propyl 4-chloro-3-(trifluoromethyl)benzoate

Drug info:

PubChemData

Smile

C1=CN(C=C1)C2=C(C(=NC(=N2)Br)Cl)F

DOS

IR

Vibrations