Geometry & MOs

Info

ID:

321296

PubChem CID:

126665699

Reduced:

BrO3F4N4C29H31 (1)

Stoich.:

AB3C4D4E29F31 (1)

Weight, g/mol:

531.18821

ΔHf, kcal/mol:

-251.05

Dipole, Da:

5.41

IP(EA), eV:

 -9.81(-1.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(3-cyanophenyl)-N-[3-(3-cyclopropyl-1-hydroxy-1-pyridin-2-ylpropyl)phenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCC1=CC(=CC=C1)N2C(=CC(=N2)C(F)(F)F)C(=O)N(C3=CC=CC=C3F)[C@H](CCC4CC4)Br

DOS

IR

Vibrations