Geometry & MOs

Info

ID:	404939
PubChem CID:	135071833
Reduced:	BrClNH7C8 (1)
Stoich.:	ABCD7E8 (1)
Weight, g/mol:	331.287515
ΔH_f, kcal/mol:	24.79
Dipole, Da:	3.75
IP(EA), eV:	-9.76(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-N-[1-[2,4,6-tri(propan-2-yl)phenyl]ethyl]butan-1-imine oxide

Drug info:

PubChemData

Smile

C/C(=C/Cl)/C1=C(N=CC=C1)Br

DOS

IR

Vibrations