Geometry & MOs

Info

ID:

308794

PubChem CID:

126522713

Reduced:

ClN2O2C20H25 (1)

Stoich.:

AB2C2D20E25 (1)

Weight, g/mol:

469.148493

ΔHf, kcal/mol:

-91.82

Dipole, Da:

6.07

IP(EA), eV:

 -8.48(-0.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[[5-[(3E)-3-[4-(5-fluorothiophen-2-yl)pyrrolo[2,3-b]pyridin-2-ylidene]-1,2-dihydropyrazolo[3,4-c]pyridin-5-yl]pyridin-3-yl]methyl]ethanamine

Drug info:

PubChemData

Smile

CC1=C(C2=C(N1)C=CC(=C2)Cl)[C@H]3CCC[C@@H](C3)NC(=O)[C@@H]4CCCO4

DOS

IR

Vibrations