Geometry & MOs

Info

ID:	259444
PubChem CID:	103165769
Reduced:	BrNO2C17H22 (1)
Stoich.:	ABC2D17E22 (1)
Weight, g/mol:	280.08266
ΔH_f, kcal/mol:	-88.51
Dipole, Da:	4.06
IP(EA), eV:	-8.9(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-bromo-2-cyclobutylethyl)-1,3,5-trimethylbenzene

Drug info:

PubChemData

Smile

CCOC1CC(C1)CC(C2=CC3=C(C=C2)NC(=O)CC3)Br

DOS

IR

Vibrations