Geometry & MOs

Info

ID:

321312

PubChem CID:

126665762

Reduced:

F2N2O2C17H17 (2)

Stoich.:

A2B2C2D17E17 (2)

Weight, g/mol:

621.23516

ΔHf, kcal/mol:

-266.35

Dipole, Da:

5.59

IP(EA), eV:

 -9.42(-1.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(3-cyanophenyl)-N-[3-[[N-(cyclopropylmethyl)-2-phenylmethoxyanilino]methyl]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)NC3=C(C=CC(=C3)C(C4=CC=CC=C4)OCC5CC5)F

DOS

IR

Vibrations