Geometry & MOs

Info

ID:

449452

PubChem CID:

135298722

Reduced:

FON6H23C33 (1)

Stoich.:

ABC6D23E33 (1)

Weight, g/mol:

530.223038

ΔHf, kcal/mol:

127.16

Dipole, Da:

10.11

IP(EA), eV:

 -8.35(-1.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

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)C7=CC=CC=C7)NN4)/C=C32

DOS

IR

Vibrations