Geometry & MOs

Info

ID:	187821
PubChem CID:	77629883
Reduced:	NZnO6C36H57 (1)
Stoich.:	ABC6D36E57 (1)
Weight, g/mol:	261.06872
ΔH_f, kcal/mol:	-251.59
Dipole, Da:	7.85
IP(EA), eV:	-8.5(-1.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-6-[(2-chloro-3-methylbutyl)amino]-4-methylphenol

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCC(=O)O.CN1CCC23C4C(=O)CCC2(C1CC5=C3C(=C(C=C5)OC)O4)O.[Zn]

DOS

IR

Vibrations