Geometry & MOs

Info

ID:	441397
PubChem CID:	135234481
Reduced:	ClOH19C22 (1)
Stoich.:	ABC19D22 (1)
Weight, g/mol:	508.213536
ΔH_f, kcal/mol:	49.12
Dipole, Da:	3.43
IP(EA), eV:	-9.2(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[5-[(3Z)-3-[7-(3-fluorophenyl)imidazo[4,5-b]pyridin-2-ylidene]-1,2-dihydropyrazolo[3,4-c]pyridin-5-yl]pyridin-3-yl]amino]-3-methylbutan-1-ol

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2=CC=C(C=C2)Cl)C3C(=C)CC(C3=O)CC#C

DOS

IR

Vibrations