Geometry & MOs

Info

ID:	259460
PubChem CID:	103166017
Reduced:	BrON2C15H19 (1)
Stoich.:	ABC2D15E19 (1)
Weight, g/mol:	252.128093
ΔH_f, kcal/mol:	-31.9
Dipole, Da:	4.17
IP(EA), eV:	-8.81(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(1-chloro-2-cyclobutylethyl)-2-methoxy-1,3-dimethylbenzene

Drug info:

PubChemData

Smile

CN1CC2=C(C=CC(=C2)C(CC3CCC3)Br)NC1=O

DOS

IR

Vibrations