Geometry & MOs

Info

ID:	50574
PubChem CID:	12013124
Reduced:	BrNOH14C16 (1)
Stoich.:	ABCD14E16 (1)
Weight, g/mol:	247.120843
ΔH_f, kcal/mol:	26.28
Dipole, Da:	1.07
IP(EA), eV:	-9.48(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1[C@@H](N=C(O1)C2=CC=CC=C2Br)CC3=CC=CC=C3

DOS

IR

Vibrations