Geometry & MOs

Info

ID:	308828
PubChem CID:	126522835
Reduced:	ON7C30H33 (1)
Stoich.:	AB7C30D33 (1)
Weight, g/mol:	378.122909
ΔH_f, kcal/mol:	93.16
Dipole, Da:	9.43
IP(EA), eV:	-8.28(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-4-(furan-3-yl)-2-(5-pyrazin-2-yl-1,2-dihydroindazol-3-ylidene)pyrrolo[2,3-b]pyridine

Drug info:

PubChemData

Smile

CC(C)(C)CC(=O)NC1=CN=CC(=C1)C2=CC\3=C(C=C2)NN/C3=C/4\C=C5C(=CC=NC5=N4)N6CCCCC6

DOS

IR

Vibrations