Geometry & MOs

Info

ID:	225595
PubChem CID:	85856291
Reduced:	BrNO2S2H6C13 (1)
Stoich.:	ABC2D2E6F13 (1)
Weight, g/mol:	360.32396
ΔH_f, kcal/mol:	76.66
Dipole, Da:	6.35
IP(EA), eV:	-9.15(-2.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(3-dodecoxypropoxy)propoxy]propan-1-ol

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1[N+](=O)[O-])C(=S)C3=C(S2)C=CC(=C3)Br

DOS

IR

Vibrations