Geometry & MOs

Info

ID:	154532
PubChem CID:	56313989
Reduced:	N2F3O4C21H21 (1)
Stoich.:	A2B3C4D21E21 (1)
Weight, g/mol:	449.229012
ΔH_f, kcal/mol:	-264.16
Dipole, Da:	2.57
IP(EA), eV:	-8.81(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(2-methylpropyl)phenyl]-[1-[1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carbonyl]piperidin-4-yl]methanone

Drug info:

PubChemData

Smile

CCC1=NC2=C(O1)C=CC(=C2)NC(=O)CCC3=CC(=C(C=C3)OCC(F)(F)F)OC

DOS

IR

Vibrations