Geometry & MOs

Info

ID:	432816
PubChem CID:	135172953
Reduced:	N9H17C22 (1)
Stoich.:	A9B17C22 (1)
Weight, g/mol:	421.176342
ΔH_f, kcal/mol:	231.7
Dipole, Da:	5.27
IP(EA), eV:	-8.64(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN/C(=C\C1=C(N=NC1=C)C2=NC3=C(N2)C=NC=C3C4=CC=NC=C4)/C5=CN=CN=C5

DOS

IR

Vibrations