Geometry & MOs

Info

ID:	434075
PubChem CID:	135174232
Reduced:	BrClON2C21H26 (1)
Stoich.:	ABCD2E21F26 (1)
Weight, g/mol:	200.079707
ΔH_f, kcal/mol:	-11.65
Dipole, Da:	2.79
IP(EA), eV:	-8.93(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-(5-methyl-2-methylidene-1,3,4-oxadiazol-3-yl)ethyl carbonate

Drug info:

PubChemData

Smile

C1CNCC1CNCCCC2=CC=CC=C2OCC3=C(C=C(C=C3)Cl)Br

DOS

IR

Vibrations