Geometry & MOs

Info

ID:	226788
PubChem CID:	87558324
Reduced:	ClFN4C18H18 (1)
Stoich.:	ABC4D18E18 (1)
Weight, g/mol:	244.047792
ΔH_f, kcal/mol:	40.47
Dipole, Da:	4.95
IP(EA), eV:	-8.83(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-6-chloro-7,7,7-trifluoro-3,3-dimethylhept-5-enoic acid

Drug info:

PubChemData

Smile

C1C(C(=NN1C(=NCCF)N)C2=CC=C(C=C2)Cl)C3=CC=CC=C3

DOS

IR

Vibrations