Geometry & MOs

Info

ID:	293520
PubChem CID:	117392353
Reduced:	ClNO3C12H14 (1)
Stoich.:	ABC3D12E14 (1)
Weight, g/mol:	255.102607
ΔH_f, kcal/mol:	-84.53
Dipole, Da:	1.51
IP(EA), eV:	-8.67(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-aminocyclohexyl)-6-chloro-4-methoxyphenol

Drug info:

PubChemData

Smile

C1CC1(CN)C2=C3C(=CC(=C2O)Cl)OCCO3

DOS

IR

Vibrations