Geometry & MOs

Info

ID:	154720
PubChem CID:	56314232
Reduced:	NF3O3C23H26 (1)
Stoich.:	AB3C3D23E26 (1)
Weight, g/mol:	410.117745
ΔH_f, kcal/mol:	-254.79
Dipole, Da:	5.92
IP(EA), eV:	-8.62(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-propan-2-yl-N-[[2-(2,2,2-trifluoroethoxy)pyridin-4-yl]methyl]-5-(trifluoromethyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2CCCN2C(=O)CCC3=CC(=C(C=C3)OCC(F)(F)F)OC

DOS

IR

Vibrations