Geometry & MOs

Info

ID:	59454
PubChem CID:	24874907
Reduced:	O2N3H13C17 (1)
Stoich.:	A2B3C13D17 (1)
Weight, g/mol:	497.172399
ΔH_f, kcal/mol:	35.49
Dipole, Da:	9.6
IP(EA), eV:	-8.99(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-fluoro-7-(triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[4-(4-phenylpyrimidin-2-yl)piperazin-1-yl]ethane-1,2-dione

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=CC3=NC(=O)C4=CC=CC=C4N3N2

DOS

IR

Vibrations