Geometry & MOs

Info

ID:

429919

PubChem CID:

135169974

Reduced:

ClOF3N7H17C22 (1)

Stoich.:

ABC3D7E17F22 (1)

Weight, g/mol:

533.155385

ΔHf, kcal/mol:

-40.67

Dipole, Da:

6.13

IP(EA), eV:

 -7.97(-1.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-aminobutyl)-3-chloro-5-[[2-isoquinolin-4-yl-3-(trifluoromethyl)-1,5-dihydropyrazole-4-carbonyl]amino]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

C1=CC2=C(C=NC=C2)C(=C1)N3C(=C(C=N3)C(=O)NC4=CC(=C(C=C4)N(/C=C\N)N)Cl)C(F)(F)F

DOS

IR

Vibrations