Geometry & MOs

Info

ID:	23473
PubChem CID:	603898
Reduced:	BrNO2H12C20 (1)
Stoich.:	ABC2D12E20 (1)
Weight, g/mol:	377.00514
ΔH_f, kcal/mol:	39.91
Dipole, Da:	3.99
IP(EA), eV:	-9.02(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-bromophenyl)-4-(naphthalen-1-ylmethylidene)-1,3-oxazol-5-one

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2C=C3C(=O)OC(=N3)C4=CC=CC=C4Br

DOS

IR

Vibrations