Geometry & MOs

Info

ID:	448250
PubChem CID:	135289613
Reduced:	FON6H25C30 (1)
Stoich.:	ABC6D25E30 (1)
Weight, g/mol:	452.176087
ΔH_f, kcal/mol:	87.49
Dipole, Da:	11.83
IP(EA), eV:	-8.37(-1.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-2-[5-(2,3-dimethylimidazol-4-yl)-1,2-dihydroindazol-3-ylidene]-4-(3-fluoro-5-methoxyphenyl)pyrrolo[3,2-c]pyridine

Drug info:

PubChemData

Smile

CC(C)CC(=O)NC1=CN=CC(=C1)C2=CC\3=C(C=C2)NN/C3=C\4/C=C5C(=N4)C=CN=C5C6=CC=CC=C6F

DOS

IR

Vibrations