Geometry & MOs

Info

ID:

449453

PubChem CID:

135298725

Reduced:

FON6H27C32 (1)

Stoich.:

ABC6D27E32 (1)

Weight, g/mol:

506.223038

ΔHf, kcal/mol:

82.34

Dipole, Da:

10.18

IP(EA), eV:

 -8.35(-1.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)F)C2=NC=CC3=N/C(=C\4/C5=C(C=CC(=C5)C6=CC(=CN=C6)NC(=O)C7CCCC7)NN4)/C=C32

DOS

IR

Vibrations