Geometry & MOs

Info

ID:	427795
PubChem CID:	135163081
Reduced:	ON2C8H8 (1)
Stoich.:	AB2C8D8 (1)
Weight, g/mol:	418.100363
ΔH_f, kcal/mol:	8.66
Dipole, Da:	5.61
IP(EA), eV:	-8.87(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenyl] 2-methylprop-2-enoate

Drug info:

PubChemData

Smile

C1C=CC=C2C1C(=O)N=CN2

DOS

IR

Vibrations