Geometry & MOs

Info

ID:	449456
PubChem CID:	135298753
Reduced:	FN6H17C25 (1)
Stoich.:	AB6C17D25 (1)
Weight, g/mol:	299.071762
ΔH_f, kcal/mol:	155.62
Dipole, Da:	6.19
IP(EA), eV:	-8.44(-1.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(1,1-difluoro-2-oxopropoxy)-3-(1,3-oxazol-2-yl)-1,6-diazabicyclo[3.2.1]oct-3-en-7-one

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)F)C2=NC=CC3=N/C(=C\4/C5=C(C=CC(=C5)C6=NC=CN=C6)NN4)/C=C32

DOS

IR

Vibrations