Geometry & MOs

Info

ID:	405505
PubChem CID:	135074185
Reduced:	N3O5C8H15 (1)
Stoich.:	A3B5C8D15 (1)
Weight, g/mol:	258.02554
ΔH_f, kcal/mol:	-170.56
Dipole, Da:	3.64
IP(EA), eV:	-9.99(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-bromophenyl)pentane-1,5-diol

Drug info:

PubChemData

Smile

CCC(C([C@@H]1C(C([C@@H](O1)O)O)O)N=[N+]=[N-])O

DOS

IR

Vibrations