Geometry & MOs

Info

ID:	259428
PubChem CID:	103165674
Reduced:	ClNOC16H20 (1)
Stoich.:	ABCD16E20 (1)
Weight, g/mol:	347.95474
ΔH_f, kcal/mol:	-52.37
Dipole, Da:	3.61
IP(EA), eV:	-8.91(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-2-(1-bromo-2-cyclobutylethyl)-1-methoxybenzene

Drug info:

PubChemData

Smile

C1CC(C1)CC(C2=CC3=C(C=C2)NC(=O)CCC3)Cl

DOS

IR

Vibrations