Geometry & MOs

Info

ID:

321267

PubChem CID:

126665638

Reduced:

OF3N7H30C31 (1)

Stoich.:

AB3C7D30E31 (1)

Weight, g/mol:

535.21951

ΔHf, kcal/mol:

-44.36

Dipole, Da:

9.04

IP(EA), eV:

 -9.19(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(C2=CC(=CC=C2)NC(=O)C3=CC(=NN3C4=CC=CC(=C4)CN)C(F)(F)F)NCCCN5C=CN=C5

DOS

IR

Vibrations