Geometry & MOs

Info

ID:	153285
PubChem CID:	56312461
Reduced:	N2F3O5C25H29 (1)
Stoich.:	A2B3C5D25E29 (1)
Weight, g/mol:	361.122496
ΔH_f, kcal/mol:	-311.11
Dipole, Da:	7.35
IP(EA), eV:	-9.14(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C(=O)N2CCCN(CC2)C(=O)CCC3=CC(=C(C=C3)OCC(F)(F)F)OC

DOS

IR

Vibrations