Geometry & MOs

Info

ID:	308972
PubChem CID:	126533197
Reduced:	OSN5H17C24 (1)
Stoich.:	ABC5D17E24 (1)
Weight, g/mol:	395.185844
ΔH_f, kcal/mol:	153.17
Dipole, Da:	2.02
IP(EA), eV:	-8.51(-1.91)
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-c]pyridin-2-ylidene-1,2-dihydropyrazolo[3,4-b]pyridine

Drug info:

PubChemData

Smile

CC1=CC=C(S1)C2=CC=CC3=N/C(=C\4/C5=C(NN4)N=CC(=C5)C6=CC(=CN=C6)O)/C=C32

DOS

IR

Vibrations