Geometry & MOs

Info

ID:	308734
PubChem CID:	126522430
Reduced:	OSN7H17C24 (1)
Stoich.:	ABC7D17E24 (1)
Weight, g/mol:	437.196408
ΔH_f, kcal/mol:	178.24
Dipole, Da:	7.9
IP(EA), eV:	-8.69(-2.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-[(3E)-3-pyrrolo[2,3-b]pyridin-2-ylidene-1,2-dihydropyrazolo[3,4-c]pyridin-5-yl]pyridin-3-yl]cyclohexanecarboxamide

Drug info:

PubChemData

Smile

CC(=O)C1=CC=C(S1)C2=CC=NC3=N/C(=C/4\C5=CC(=NC=C5NN4)C6=CC(=CN=C6)N)/C=C23

DOS

IR

Vibrations