Geometry & MOs

Info

ID:	287450
PubChem CID:	104242541
Reduced:	BrN2C16H27 (1)
Stoich.:	AB2C16D27 (1)
Weight, g/mol:	296.07758
ΔH_f, kcal/mol:	-14.93
Dipole, Da:	4.07
IP(EA), eV:	-9.29(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-bromo-4-cyclopentylbutoxy)benzene

Drug info:

PubChemData

Smile

CCC(CC)N1C=CC(=N1)CCC(C2CCCC2)Br

DOS

IR

Vibrations