Geometry & MOs

Info

ID:	266054
PubChem CID:	103558126
Reduced:	BrOC18H21 (1)
Stoich.:	ABC18D21 (1)
Weight, g/mol:	342.08306
ΔH_f, kcal/mol:	-15.65
Dipole, Da:	2.7
IP(EA), eV:	-8.88(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-bromo-3-(1-methoxycyclobutyl)propyl]-1,2-dimethoxybenzene

Drug info:

PubChemData

Smile

COC1(CCC1)CC(CC2=CC3=CC=CC=C3C=C2)Br

DOS

IR

Vibrations