Geometry & MOs

Info

ID:	248753
PubChem CID:	103084123
Reduced:	BrN2O2C12H13 (1)
Stoich.:	AB2C2D12E13 (1)
Weight, g/mol:	344.01604
ΔH_f, kcal/mol:	-12.56
Dipole, Da:	3.62
IP(EA), eV:	-9.59(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(4-bromo-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-phenylmethanol

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Br)C2=NOC(=N2)CCCO

DOS

IR

Vibrations