Geometry & MOs

Info

ID:	448206
PubChem CID:	135289245
Reduced:	FN8H25C28 (1)
Stoich.:	AB8C25D28 (1)
Weight, g/mol:	421.136117
ΔH_f, kcal/mol:	159.79
Dipole, Da:	10.76
IP(EA), eV:	-8.35(-1.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-2-[5-(4-methylpyridin-3-yl)-1,2-dihydroindazol-3-ylidene]-4-(5-methylthiophen-2-yl)pyrrolo[3,2-c]pyridine

Drug info:

PubChemData

Smile

CN(C)CCNC1=CC(=CC(=C1)C2=NC=CC3=N/C(=C\4/C5=C(C=CC(=C5)C6=CN=CN=C6)NN4)/C=C32)F

DOS

IR

Vibrations