Geometry & MOs

Info

ID:	244972
PubChem CID:	99431914
Reduced:	F2N2O4H22C23 (1)
Stoich.:	A2B2C4D22E23 (1)
Weight, g/mol:	366.144038
ΔH_f, kcal/mol:	-216.47
Dipole, Da:	3.5
IP(EA), eV:	-9.28(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-3-(2,3-dioxo-1H-pyrazin-4-yl)propanamide

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)C2=CC3=C(C=C2)OCC(=O)N3)C(=O)CCC4=C(C=CC(=C4)F)F

DOS

IR

Vibrations