Geometry & MOs

Info

ID:	48357
PubChem CID:	10539176
Reduced:	ClN4C12H23 (1)
Stoich.:	AB4C12D23 (1)
Weight, g/mol:	258.02554
ΔH_f, kcal/mol:	27.59
Dipole, Da:	2.25
IP(EA), eV:	-9.19(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-bromoethoxy)-2,3,6-trimethylphenol

Drug info:

PubChemData

Smile

CCC(CCCN=[N+]=[N-])(C(=NC(C)(C)C)C)Cl

DOS

IR

Vibrations