Geometry & MOs

Info

ID:	149571
PubChem CID:	53789244
Reduced:	N2O3H16C17 (1)
Stoich.:	A2B3C16D17 (1)
Weight, g/mol:	400.033268
ΔH_f, kcal/mol:	-46.44
Dipole, Da:	3.35
IP(EA), eV:	-8.53(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2,3,4,5,5,5-hexafluoro-2,4-bis(trifluoromethyl)pentyl] 2-methylprop-2-enoate

Drug info:

PubChemData

Smile

CN(C1=CC=CC=C1)C2=NC3=C(O2)C=C(C=C3)CC(=O)OC

DOS

IR

Vibrations