Geometry & MOs

Info

ID:

321243

PubChem CID:

126665584

Reduced:

O3F4N6C34H36 (1)

Stoich.:

A3B4C6D34E36 (1)

Weight, g/mol:

566.241722

ΔHf, kcal/mol:

-218.67

Dipole, Da:

8.16

IP(EA), eV:

 -9.44(-1.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[1-amino-3-cyclopropyl-1-(2-methylpyridin-4-yl)propyl]-2-fluorophenyl]-2-[3-(aminomethyl)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(CCC4CC4)(C5=CC=NC=C5)N)F

DOS

IR

Vibrations