Geometry & MOs

Info

ID:	308719
PubChem CID:	126522415
Reduced:	N7H21C23 (1)
Stoich.:	A7B21C23 (1)
Weight, g/mol:	397.110965
ΔH_f, kcal/mol:	189.36
Dipole, Da:	5.17
IP(EA), eV:	-8.66(-2.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN(C1)CC2=CC(=CN=C2)C3=NC=C4C(=C3)/C(=C\5/C=C6C=CC=NC6=N5)/NN4

DOS

IR

Vibrations