Geometry & MOs

Info

ID:

448200

PubChem CID:

135289212

Reduced:

FOSN8H21C26 (1)

Stoich.:

ABCD8E21F26 (1)

Weight, g/mol:

532.204531

ΔHf, kcal/mol:

147.21

Dipole, Da:

8.18

IP(EA), eV:

 -8.64(-2.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[5-[(2Z)-2-[5-[5-(piperidin-1-ylmethyl)pyridin-3-yl]-1,2-dihydroindazol-3-ylidene]pyrrolo[3,2-c]pyridin-4-yl]thiophen-2-yl]ethanone

Drug info:

PubChemData

Smile

C1CNCCC1OC2=CN=CC(=C2)C3=NC\4=C(C=C3)NN/C4=C\5/N=C6C(=CC=NC6=N5)C7=CC=C(S7)F

DOS

IR

Vibrations