Geometry & MOs

Info

ID:

429790

PubChem CID:

135169842

Reduced:

SF3N9H20C23 (1)

Stoich.:

AB3C9D20E23 (1)

Weight, g/mol:

483.174291

ΔHf, kcal/mol:

89.19

Dipole, Da:

4.03

IP(EA), eV:

 -8.72(-1.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[6-[(Z)-N'-[amino(methyl)amino]carbamimidoyl]-5-methylpyridin-3-yl]-1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC/C=C(\C(=C\N)\C(=NC1=C2C=CSC2=NC=C1)C(F)(F)F)/NC3=CC(=CN(N=C3)/N=C\C=N)C#N

DOS

IR

Vibrations