Geometry & MOs

Info

ID:	308883
PubChem CID:	126531769
Reduced:	ClO2F3N4H24C26 (1)
Stoich.:	AB2C3D4E24F26 (1)
Weight, g/mol:	491.186987
ΔH_f, kcal/mol:	-169.87
Dipole, Da:	2.66
IP(EA), eV:	-8.84(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(CC1=CC=C(C=C1)OC(F)(F)F)NC2=C3C=C(C=CC3=NC=C2Cl)C4=CN=C(N=C4)C(C)(C)O

DOS

IR

Vibrations