Geometry & MOs

Info

ID:	308826
PubChem CID:	126522833
Reduced:	N7H23C27 (1)
Stoich.:	A7B23C27 (1)
Weight, g/mol:	487.212058
ΔH_f, kcal/mol:	211.78
Dipole, Da:	4.04
IP(EA), eV:	-8.61(-1.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-N-[5-[(3E)-3-(4-pyridin-3-ylpyrrolo[2,3-b]pyridin-2-ylidene)-1,2-dihydroindazol-5-yl]pyridin-3-yl]butanamide

Drug info:

PubChemData

Smile

CN(C)CC1=CC(=CN=C1)C2=CC\3=C(C=C2)NN/C3=C/4\C=C5C(=CC=NC5=N4)C6=CC=NC=C6

DOS

IR

Vibrations