Geometry & MOs

Info

ID:	373879
PubChem CID:	131320969
Reduced:	FNOC10H10 (1)
Stoich.:	ABCD10E10 (1)
Weight, g/mol:	179.069477
ΔH_f, kcal/mol:	-51.09
Dipole, Da:	2.13
IP(EA), eV:	-9.28(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-3-oxo-4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridine-5-carbonitrile

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(CC#N)CF)O

DOS

IR

Vibrations