Geometry & MOs

Info

ID:	298541
PubChem CID:	117650897
Reduced:	O4N6C13H22 (1)
Stoich.:	A4B6C13D22 (1)
Weight, g/mol:	346.061533
ΔH_f, kcal/mol:	-86.36
Dipole, Da:	2.6
IP(EA), eV:	-9.38(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3,4,4,5,5,6,6,7-nonafluoroheptyl 2-methylprop-2-enoate

Drug info:

PubChemData

Smile

C1=NC2C(C(=N1)N)N=CN2[C@H]3[C@H](C([C@H](O3)CO)O)OCCCN

DOS

IR

Vibrations