Geometry & MOs

Info

ID:	309734
PubChem CID:	126556611
Reduced:	FN8H21C27 (1)
Stoich.:	AB8C21D27 (1)
Weight, g/mol:	408.115716
ΔH_f, kcal/mol:	188.61
Dipole, Da:	12.32
IP(EA), eV:	-8.66(-2.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3Z)-3-[4-(5-methylthiophen-2-yl)pyrrolo[3,2-c]pyridin-2-ylidene]-5-pyridin-4-yl-1,2-dihydropyrazolo[3,4-c]pyridine

Drug info:

PubChemData

Smile

CCC(=C)NC1=CN=CC(=C1)C2=NC\3=C(C=C2)NN/C3=C/4\N=C5C=NC=C(C5=N4)C6=CC(=CC=C6)F

DOS

IR

Vibrations