Geometry & MOs

Info

ID:	448717
PubChem CID:	135292952
Reduced:	N3O3C13H21 (1)
Stoich.:	A3B3C13D21 (1)
Weight, g/mol:	231.94188
ΔH_f, kcal/mol:	-11.99
Dipole, Da:	6.86
IP(EA), eV:	-9.01(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethylsulfanyl-2-iodoethanol

Drug info:

PubChemData

Smile

C.CON1CCN(CC1)CC2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations