Geometry & MOs

Info

ID:	200861
PubChem CID:	79454667
Reduced:	ClNC17H22 (1)
Stoich.:	ABC17D22 (1)
Weight, g/mol:	288.05251
ΔH_f, kcal/mol:	11.19
Dipole, Da:	2.11
IP(EA), eV:	-8.86(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-bromo-4-propan-2-yloxybutan-2-yl)-2-fluorobenzene

Drug info:

PubChemData

Smile

C1CC(CC=C1)C2CCNCC2C3=CC=CC=C3Cl

DOS

IR

Vibrations