Geometry & MOs

Info

ID:	449342
PubChem CID:	135297773
Reduced:	FON3C14H14 (2)
Stoich.:	ABC3D14E14 (2)
Weight, g/mol:	447.1983
ΔH_f, kcal/mol:	-26.69
Dipole, Da:	2.84
IP(EA), eV:	-9.71(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,6-difluorophenyl)-5-methyl-8-propan-2-yl-8-[6-(2H-triazol-4-yl)pyrazin-2-yl]-6,7-dihydro-5H-cinnoline

Drug info:

PubChemData

Smile

CCC1CC(C2=NN=C(C=C2C1CC)C3=C(C=CC=C3F)F)C4=CC=CC(=N4)C5=NNC(=N5)C6(COC6)O

DOS

IR

Vibrations