Geometry & MOs

Info

ID:	266055
PubChem CID:	103558129
Reduced:	BrO3C16H23 (1)
Stoich.:	AB3C16D23 (1)
Weight, g/mol:	350.04931
ΔH_f, kcal/mol:	-104.59
Dipole, Da:	2.94
IP(EA), eV:	-8.3(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-bromo-3-(1-methoxycyclobutyl)propyl]-4-(trifluoromethyl)benzene

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CC(CC2(CCC2)OC)Br)OC

DOS

IR

Vibrations