Geometry & MOs

Info

ID:	294386
PubChem CID:	117456475
Reduced:	ClNO2C15H22 (1)
Stoich.:	ABC2D15E22 (1)
Weight, g/mol:	283.133907
ΔH_f, kcal/mol:	-87.24
Dipole, Da:	3.97
IP(EA), eV:	-8.7(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-(aminomethyl)cyclohexyl]-3-chloro-2-methoxy-5-methylphenol

Drug info:

PubChemData

Smile

CC(CCN)C1=CC(=C(C=C1)OC2CCCOC2)Cl

DOS

IR

Vibrations