Geometry & MOs

Info

ID:	308718
PubChem CID:	126522414
Reduced:	ON9H23C26 (1)
Stoich.:	AB9C23D26 (1)
Weight, g/mol:	395.185844
ΔH_f, kcal/mol:	166.91
Dipole, Da:	0.92
IP(EA), eV:	-8.82(-2.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E)-5-[5-(pyrrolidin-1-ylmethyl)pyridin-3-yl]-3-pyrrolo[2,3-b]pyridin-2-ylidene-1,2-dihydropyrazolo[3,4-c]pyridine

Drug info:

PubChemData

Smile

CC1=CN(C=N1)C2=CC=NC3=N/C(=C/4\C5=CC(=NC=C5NN4)C6=CC(=CN=C6)NC(=O)C(C)C)/C=C23

DOS

IR

Vibrations