Geometry & MOs

Info

ID:	444085
PubChem CID:	135261297
Reduced:	OSN7H23C27 (1)
Stoich.:	ABC7D23E27 (1)
Weight, g/mol:	413.085893
ΔH_f, kcal/mol:	155.96
Dipole, Da:	9.78
IP(EA), eV:	-8.53(-2.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)NC1=CN=CC(=C1)C2=NC=C3C(=C2)/C(=C/4\C=C5C(=N4)C=CN=C5C6=CC=CS6)/NN3

DOS

IR

Vibrations