Geometry & MOs

Info

ID:

448172

PubChem CID:

135288984

Reduced:

OSN6H24C28 (1)

Stoich.:

ABC6D24E28 (1)

Weight, g/mol:

464.196074

ΔHf, kcal/mol:

158.17

Dipole, Da:

10.63

IP(EA), eV:

 -8.39(-1.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[5-[(3Z)-3-[4-(furan-3-yl)pyrrolo[3,2-c]pyridin-2-ylidene]-1,2-dihydroindazol-5-yl]pyridin-3-yl]oxy-N,N-dimethylethanamine

Drug info:

PubChemData

Smile

CC(=O)C1=CC=C(S1)C2=NC=CC3=N/C(=C\4/C5=C(C=CC(=C5)C6=CN=CC(=C6)CN(C)C)NN4)/C=C32

DOS

IR

Vibrations