Geometry & MOs

Info

ID:	315577
PubChem CID:	126627842
Reduced:	N4O5C24H24 (1)
Stoich.:	A4B5C24D24 (1)
Weight, g/mol:	314.037763
ΔH_f, kcal/mol:	-123.22
Dipole, Da:	11.06
IP(EA), eV:	-8.98(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl] prop-2-enoate

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)NC(=O)[C@@H]2CCN2C(=O)CN3C=C(C4=C3C=CC(=C4)C(=O)OC)C(=O)C

DOS

IR

Vibrations