Geometry & MOs

Info

ID:	50577
PubChem CID:	12013127
Reduced:	ClNO3C14H16 (1)
Stoich.:	ABC3D14E16 (1)
Weight, g/mol:	281.081871
ΔH_f, kcal/mol:	-67.67
Dipole, Da:	1.93
IP(EA), eV:	-9.82(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCOC1CC(=NO1)C(=O)C2=CC=CC=C2Cl

DOS

IR

Vibrations