Geometry & MOs

Info

ID:

226076

PubChem CID:

87322635

Reduced:

N3F4O7C23H23 (1)

Stoich.:

A3B4C7D23E23 (1)

Weight, g/mol:

436.063791

ΔHf, kcal/mol:

-434.98

Dipole, Da:

5.47

IP(EA), eV:

 -8.71(-1.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N'-[2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-5-cyano-4-(3,3,3-trifluoroprop-1-en-2-yl)pyrazol-3-yl]-N,N-dimethylmethanimidamide

Drug info:

PubChemData

Smile

CCC(C(=O)N[C@@H](CC(=O)O)C(=O)COC1=C(C(=CC(=C1F)F)F)F)N2C=CC=C(C2=O)NC(=O)CC

DOS

IR

Vibrations