Geometry & MOs

Info

ID:	449501
PubChem CID:	135299103
Reduced:	ON8H26C29 (1)
Stoich.:	AB8C26D29 (1)
Weight, g/mol:	449.185175
ΔH_f, kcal/mol:	181.32
Dipole, Da:	9.3
IP(EA), eV:	-8.54(-2.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[5-[(3Z)-3-[4-(furan-3-yl)indol-2-ylidene]-1,2-dihydroindazol-5-yl]pyridin-3-yl]amino]propan-1-ol

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2=NC=CC3=N/C(=C\4/C5=C(C=CC(=N5)C6=CC(=CN=C6)OC7CCNCC7)NN4)/N=C32

DOS

IR

Vibrations