Geometry & MOs

Info

ID:	85134
PubChem CID:	49872029
Reduced:	FON5H16C18 (1)
Stoich.:	ABC5D16E18 (1)
Weight, g/mol:	309.102588
ΔH_f, kcal/mol:	62.87
Dipole, Da:	7.72
IP(EA), eV:	-8.95(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=C2C=C(C(=CC2=NN1)F)C3C(=C(N=C4C3=C(NO4)C)C)C#N

DOS

IR

Vibrations