Geometry & MOs

Info

ID:	293524
PubChem CID:	117392388
Reduced:	ClNO2C13H18 (1)
Stoich.:	ABC2D13E18 (1)
Weight, g/mol:	255.102607
ΔH_f, kcal/mol:	-81.93
Dipole, Da:	3.58
IP(EA), eV:	-8.7(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-(aminomethyl)cyclopentyl]-5-chloro-2-methoxyphenol

Drug info:

PubChemData

Smile

COC1=C(C=C(C(=C1)Cl)C2(CCCC2)CN)O

DOS

IR

Vibrations