Geometry & MOs

Info

ID:	265410
PubChem CID:	103520094
Reduced:	BrNOH10C14 (1)
Stoich.:	ABCD10E14 (1)
Weight, g/mol:	260.061949
ΔH_f, kcal/mol:	59.47
Dipole, Da:	4.23
IP(EA), eV:	-9.28(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxy-5-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]benzonitrile

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C#CCOC2=CN=C(C=C2)Br

DOS

IR

Vibrations