Geometry & MOs

Info

ID:

321238

PubChem CID:

126665575

Reduced:

F4O4N6C37H40 (1)

Stoich.:

A4B4C6D37E40 (1)

Weight, g/mol:

519.18821

ΔHf, kcal/mol:

-276.25

Dipole, Da:

5.4

IP(EA), eV:

 -9.56(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(3-cyanophenyl)-N-[3-[[2-(3-hydroxypropylamino)phenyl]methyl]phenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CCC(=O)NC(CCC1CC1)(C2=CC(=C(C=C2)F)NC(=O)C3=CC(=NN3C4=CC=CC(=C4)CNC(=O)OC(C)(C)C)C(F)(F)F)C5=CN=CC=C5

DOS

IR

Vibrations