Geometry & MOs

Info

ID:	260196
PubChem CID:	103184402
Reduced:	ClO3C13H19 (1)
Stoich.:	AB3C13D19 (1)
Weight, g/mol:	354.00153
ΔH_f, kcal/mol:	-124.9
Dipole, Da:	1.64
IP(EA), eV:	-8.91(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-bromo-5-fluorophenoxy)methyl]-3,5-dimethyl-4-nitropyridine

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)Cl)OCCOCCCOC

DOS

IR

Vibrations