Geometry & MOs

Info

ID:	437936
PubChem CID:	135227331
Reduced:	F2H2C3 (3)
Stoich.:	A2B2C3 (3)
Weight, g/mol:	499.093087
ΔH_f, kcal/mol:	-292.26
Dipole, Da:	4.62
IP(EA), eV:	-9.97(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-cyclopropyl-5-[4-fluoro-3-(1,1,2,2,2-pentafluoroethyl)phenyl]pyrazolo[1,5-c]pyrimidin-3-yl]-3,5-difluorophenol

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)F)C(C(F)(F)F)(F)F

DOS

IR

Vibrations