Geometry & MOs

Info

ID:	309821
PubChem CID:	126560843
Reduced:	N5H13C19 (1)
Stoich.:	A5B13C19 (1)
Weight, g/mol:	493.207802
ΔH_f, kcal/mol:	177.46
Dipole, Da:	9.22
IP(EA), eV:	-8.5(-1.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[(3Z)-6-fluoro-3-[4-(3-fluorophenyl)pyrrolo[2,3-c]pyridin-2-ylidene]-1,2-dihydroindazol-5-yl]-5-methylphenyl]-N,N-dimethylmethanamine

Drug info:

PubChemData

Smile

C1=CC(=CN=C1)C2=CC\3=C(C=C2)NN/C3=C\4/C=C5C=CN=CC5=N4

DOS

IR

Vibrations