Geometry & MOs

Info

ID:

429814

PubChem CID:

135169867

Reduced:

ISO3N6C28H31 (1)

Stoich.:

ABC3D6E28F31 (1)

Weight, g/mol:

541.135319

ΔHf, kcal/mol:

-10.04

Dipole, Da:

6.24

IP(EA), eV:

 -8.6(-2.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2E)-2-(aminomethylidene)-3-[2-(azetidin-2-yl)quinolin-5-yl]imino-N-[5-chloro-6-(triazol-2-yl)pyridin-3-yl]-4,4,4-trifluorobutanamide

Drug info:

PubChemData

Smile

CNC(=O)C1=CC2=C(N=C1)N(C=C2C3=CC4=C(C(=CN=C4C=C3)NCC5CCOCC5)N6CCOCC6)SI

DOS

IR

Vibrations