Geometry & MOs

Info

ID:	50576
PubChem CID:	12013126
Reduced:	FNO3C14H16 (1)
Stoich.:	ABC3D14E16 (1)
Weight, g/mol:	281.081871
ΔH_f, kcal/mol:	-107.69
Dipole, Da:	3.24
IP(EA), eV:	-10.21(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-butoxy-4,5-dihydro-1,2-oxazol-3-yl)-(2-chlorophenyl)methanone

Drug info:

PubChemData

Smile

CCCCOC1CC(=NO1)C(=O)C2=CC=C(C=C2)F

DOS

IR

Vibrations