Geometry & MOs

Info

ID:	194379
PubChem CID:	78525863
Reduced:	NO3C21H25 (1)
Stoich.:	AB3C21D25 (1)
Weight, g/mol:	400.04226
ΔH_f, kcal/mol:	-80.62
Dipole, Da:	5.77
IP(EA), eV:	-8.5(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-bromophenyl)-5-[(2-methoxy-4-prop-1-enylphenoxy)methyl]-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

CCC1=CC=CC(=C1NC(=O)COC2=C(C=C(C=C2)C=CC)OC)C

DOS

IR

Vibrations