Geometry & MOs

Info

ID:	190374
PubChem CID:	77992967
Reduced:	ON4F8H14C18 (1)
Stoich.:	AB4C8D14E18 (1)
Weight, g/mol:	454.103986
ΔH_f, kcal/mol:	-384.07
Dipole, Da:	3.0
IP(EA), eV:	-9.96(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-[3,5-bis(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-1-(4,4-difluoropiperidin-1-yl)prop-2-en-1-one

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)C=CN2C=NC(=N2)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)(F)F

DOS

IR

Vibrations