Geometry & MOs

Info

ID:	308716
PubChem CID:	126522412
Reduced:	OSN7H23C27 (1)
Stoich.:	ABC7D23E27 (1)
Weight, g/mol:	383.095315
ΔH_f, kcal/mol:	157.35
Dipole, Da:	9.35
IP(EA), eV:	-8.76(-2.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E)-5-(1H-pyrazol-4-yl)-3-(4-thiophen-3-ylpyrrolo[2,3-b]pyridin-2-ylidene)-1,2-dihydropyrazolo[3,4-c]pyridine

Drug info:

PubChemData

Smile

CC(C)CC(=O)NC1=CN=CC(=C1)C2=NC=C3C(=C2)/C(=C\4/C=C5C(=CC=NC5=N4)C6=CC=CS6)/NN3

DOS

IR

Vibrations