Geometry & MOs

Info

ID:

309759

PubChem CID:

126557507

Reduced:

ON7H25C30 (1)

Stoich.:

AB7C25D30 (1)

Weight, g/mol:

474.191657

ΔHf, kcal/mol:

151.85

Dipole, Da:

14.11

IP(EA), eV:

 -8.47(-1.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[(3Z)-3-(4-pyridin-2-ylpyrrolo[3,2-c]pyridin-2-ylidene)-1,2-dihydropyrazolo[3,4-c]pyridin-5-yl]pyridin-3-yl]butanamide

Drug info:

PubChemData

Smile

C1CCC(C1)C(=O)NC2=CN=CC(=C2)C3=CC\4=C(C=C3)NN/C4=C\5/C=C6C(=N5)C=CN=C6C7=CN=CC=C7

DOS

IR

Vibrations