Geometry & MOs

Info

ID:	207720
PubChem CID:	80442907
Reduced:	BrINO2C12H15 (1)
Stoich.:	ABCD2E12F15 (1)
Weight, g/mol:	238.168128
ΔH_f, kcal/mol:	2.97
Dipole, Da:	7.03
IP(EA), eV:	-9.81(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-1-[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]pentan-2-one

Drug info:

PubChemData

Smile

CC(C)CC(CC1=C(C=C(C=C1)[N+](=O)[O-])I)Br

DOS

IR

Vibrations