Geometry & MOs

Info

ID:	373045
PubChem CID:	131309024
Reduced:	BrO2N4H7C9 (1)
Stoich.:	AB2C4D7E9 (1)
Weight, g/mol:	261.97418
ΔH_f, kcal/mol:	23.02
Dipole, Da:	4.88
IP(EA), eV:	-10.08(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-bromophenyl)-4-methyl-1,2-oxazole-3-carbonitrile

Drug info:

PubChemData

Smile

COC(=O)C1=CN(N=C1)C2=NC=C(C=N2)Br

DOS

IR

Vibrations