Geometry & MOs

Info

ID:

327380

PubChem CID:

126689746

Reduced:

F3O3N5C35H38 (1)

Stoich.:

A3B3C5D35E38 (1)

Weight, g/mol:

606.24539

ΔHf, kcal/mol:

-184.04

Dipole, Da:

7.7

IP(EA), eV:

 -9.15(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(3-cyanophenyl)-N-[3-[(2,5-dibutoxyphenyl)-hydroxymethyl]phenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(C2=CC(=CC=C2)NC(=O)C3=CC(=NN3C4=CC=CC(=C4)CN)C(F)(F)F)N(CC5CC5)C(=O)OC(C)(C)C

DOS

IR

Vibrations