Geometry & MOs

Info

ID:	179596
PubChem CID:	76507972
Reduced:	O11H20C21 (1)
Stoich.:	A11B20C21 (1)
Weight, g/mol:	474.140256
ΔH_f, kcal/mol:	-408.17
Dipole, Da:	2.62
IP(EA), eV:	-9.22(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[cyano-(6-phenoxypyridin-2-yl)methyl]-2,2-dimethyl-3-[3-oxo-3-(2,2,2-trifluoroethoxy)prop-1-enyl]cyclopropane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC1C(C(C(C(O1)OC2=C(C=CC(=C2)C3=C(C(=O)C4=C(C=C(C=C4O3)O)O)O)O)O)O)O

DOS

IR

Vibrations