Geometry & MOs

Info

ID:	448210
PubChem CID:	135289272
Reduced:	N7H25C32 (1)
Stoich.:	A7B25C32 (1)
Weight, g/mol:	407.149458
ΔH_f, kcal/mol:	235.09
Dipole, Da:	7.86
IP(EA), eV:	-8.45(-1.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(3Z)-3-[4-(4-methylimidazol-1-yl)pyrrolo[3,2-c]pyridin-2-ylidene]-1,2-dihydroindazol-5-yl]pyridin-3-ol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CNCC2=CC(=CN=C2)C3=CC\4=C(C=C3)NN/C4=C\5/C=C6C(=N5)C=CN=C6C7=CN=CC=C7

DOS

IR

Vibrations