Geometry & MOs

Info

ID:	303458
PubChem CID:	124489746
Reduced:	N2O3C16H22 (1)
Stoich.:	A2B3C16D22 (1)
Weight, g/mol:	240.002126
ΔH_f, kcal/mol:	-122.27
Dipole, Da:	6.97
IP(EA), eV:	-9.61(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z,4R)-2,3,4,5,5,5-hexafluoro-4-(fluoromethyl)pent-2-enoic acid

Drug info:

PubChemData

Smile

CC(C)(C)[C@@H](C(=O)O)N1C2=CC=CC=C2CC[C@H](C1=O)N

DOS

IR

Vibrations