Geometry & MOs

Info

ID:	448249
PubChem CID:	135289609
Reduced:	ON7H23C28 (1)
Stoich.:	AB7C23D28 (1)
Weight, g/mol:	504.207388
ΔH_f, kcal/mol:	151.12
Dipole, Da:	14.41
IP(EA), eV:	-8.47(-1.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-[(3Z)-3-[4-(2-fluorophenyl)pyrrolo[3,2-c]pyridin-2-ylidene]-1,2-dihydroindazol-5-yl]pyridin-3-yl]-3-methylbutanamide

Drug info:

PubChemData

Smile

CCCC(=O)NC1=CN=CC(=C1)C2=CC\3=C(C=C2)NN/C3=C\4/C=C5C(=N4)C=CN=C5C6=CN=CC=C6

DOS

IR

Vibrations