Geometry & MOs

Info

ID:	45609
PubChem CID:	10515537
Reduced:	BrON2C10H17 (1)
Stoich.:	ABC2D10E17 (1)
Weight, g/mol:	260.073471
ΔH_f, kcal/mol:	-29.84
Dipole, Da:	3.08
IP(EA), eV:	-9.14(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(2,4-dichlorophenyl)heptan-1-ol

Drug info:

PubChemData

Smile

CC1=NN(C(=C1CCBr)OC(C)C)C

DOS

IR

Vibrations