Geometry & MOs

Info

ID:

166389

PubChem CID:

74682786

Reduced:

BrClO2N4F6H16C21 (1)

Stoich.:

ABC2D4E6F16G21 (1)

Weight, g/mol:

568.01002

ΔHf, kcal/mol:

-322.0

Dipole, Da:

2.41

IP(EA), eV:

 -9.36(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-(4-bromophenyl)-3-chloro-7-(trifluoromethyl)-N-[2-(trifluoromethyl)phenyl]-1,2,3,5,6,7-hexahydropyrazolo[1,5-a]pyrimidine-2-carboxamide

Drug info:

PubChemData

Smile

C1C(N=C2C(C(NN2C1C(F)(F)F)C(=O)NC3=CC=C(C=C3)OC(F)(F)F)Cl)C4=CC=C(C=C4)Br

DOS

IR

Vibrations