Geometry & MOs

Info

ID:	293521
PubChem CID:	117392380
Reduced:	ClNO2C13H18 (1)
Stoich.:	ABC2D13E18 (1)
Weight, g/mol:	255.102607
ΔH_f, kcal/mol:	-86.8
Dipole, Da:	4.54
IP(EA), eV:	-8.73(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(1-aminocyclohexyl)-4-chloro-2-methoxyphenol

Drug info:

PubChemData

Smile

COC1=CC(=C(C(=C1)Cl)O)C2(CCCCC2)N

DOS

IR

Vibrations