Geometry & MOs

Info

ID:

444104

PubChem CID:

135261332

Reduced:

OSN7H27C30 (1)

Stoich.:

ABC7D27E30 (1)

Weight, g/mol:

638.2554

ΔHf, kcal/mol:

149.22

Dipole, Da:

9.1

IP(EA), eV:

 -8.55(-2.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[(3Z)-3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]pyrrolo[3,2-c]pyridin-2-ylidene]-1,2-dihydropyrazolo[3,4-c]pyridin-5-yl]pyridin-3-yl]benzamide

Drug info:

PubChemData

Smile

C1CCC(CC1)CC(=O)NC2=CN=CC(=C2)C3=NC=C4C(=C3)/C(=C/5\C=C6C(=N5)C=CN=C6C7=CC=CS7)/NN4

DOS

IR

Vibrations