Geometry & MOs

Info

ID:	85133
PubChem CID:	49872028
Reduced:	OF3N5H12C17 (1)
Stoich.:	AB3C5D12E17 (1)
Weight, g/mol:	337.133888
ΔH_f, kcal/mol:	-24.59
Dipole, Da:	8.11
IP(EA), eV:	-9.01(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-ethyl-6-fluoro-2H-indazol-5-yl)-3,6-dimethyl-2,4-dihydro-[1,2]oxazolo[5,4-b]pyridine-5-carbonitrile

Drug info:

PubChemData

Smile

CC1=C2C=C(C(=CC2=NN1)F)C3C(=C(N=C4C3=C(NO4)C)C(F)F)C#N

DOS

IR

Vibrations