Geometry & MOs

Info

ID:	441391
PubChem CID:	135234470
Reduced:	ClO2H19C22 (1)
Stoich.:	AB2C19D22 (1)
Weight, g/mol:	482.163729
ΔH_f, kcal/mol:	-17.47
Dipole, Da:	3.27
IP(EA), eV:	-9.26(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[5-[(3Z)-3-(7-thiophen-3-ylimidazo[4,5-b]pyridin-2-ylidene)-1,2-dihydropyrazolo[3,4-c]pyridin-5-yl]pyridin-3-yl]amino]butan-1-ol

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1C2C(=O)C[C@H](C2=O)CC#C)C)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations