Geometry & MOs

Info

ID:	308892
PubChem CID:	126531797
Reduced:	OSN6H16C23 (1)
Stoich.:	ABC6D16E23 (1)
Weight, g/mol:	395.095315
ΔH_f, kcal/mol:	172.97
Dipole, Da:	7.69
IP(EA), eV:	-8.62(-2.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(S1)C2=NC=CC3=N/C(=C/4\C5=C(C=CC(=N5)C6=CC(=CN=C6)O)NN4)/C=C32

DOS

IR

Vibrations