Geometry & MOs

Info

ID:	308986
PubChem CID:	126533583
Reduced:	N4H11C13 (2)
Stoich.:	A4B11C13 (2)
Weight, g/mol:	446.196743
ΔH_f, kcal/mol:	217.26
Dipole, Da:	7.16
IP(EA), eV:	-8.91(-2.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-propan-2-yl-5-[(3E)-3-(4-pyridin-2-ylpyrrolo[2,3-c]pyridin-2-ylidene)-1,2-dihydropyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine

Drug info:

PubChemData

Smile

CCNCC1=CC(=CN=C1)C2=CC\3=C(NN/C3=C/4\C=C5C(=CN=CC5=N4)C6=CC=NC=C6)N=C2

DOS

IR

Vibrations