Geometry & MOs

Info

ID:	432837
PubChem CID:	135172974
Reduced:	ON9C25H27 (1)
Stoich.:	AB9C25D27 (1)
Weight, g/mol:	426.137514
ΔH_f, kcal/mol:	134.49
Dipole, Da:	3.14
IP(EA), eV:	-8.05(-2.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(Z)-1-(methylamino)-2-[3-methylidene-5-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)pyrazol-4-yl]ethenyl]pyridin-3-amine

Drug info:

PubChemData

Smile

CCC(NC1=CN=CC(=C1)C2=NC=C3C(=C2)/C(=C\4/N=C5C=NC=C(C5=N4)N6CCCCC6)/NN3)O

DOS

IR

Vibrations