Geometry & MOs

Info

ID:

447921

PubChem CID:

135286838

Reduced:

FOSN8H25C29 (1)

Stoich.:

ABCD8E25F29 (1)

Weight, g/mol:

494.163729

ΔHf, kcal/mol:

114.83

Dipole, Da:

2.26

IP(EA), eV:

 -8.84(-2.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(dimethylamino)-N-[5-[(3Z)-3-(4-thiophen-2-ylpyrrolo[3,2-c]pyridin-2-ylidene)-1,2-dihydropyrazolo[3,4-b]pyridin-5-yl]pyridin-3-yl]acetamide

Drug info:

PubChemData

Smile

C1CNCCC1CC(=O)NC2=CN=CC(=C2)C3=NC=C4C(=C3)/C(=C\5/C=C6C(=CN=CC6=N5)C7=CC=C(S7)F)/NN4

DOS

IR

Vibrations