Geometry & MOs

Info

ID:	293556
PubChem CID:	117392924
Reduced:	ClNO2C13H18 (1)
Stoich.:	ABC2D13E18 (1)
Weight, g/mol:	255.119005
ΔH_f, kcal/mol:	-75.63
Dipole, Da:	2.46
IP(EA), eV:	-8.81(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(2-chloro-3-fluoro-6-methylphenyl)cyclohexyl]methanamine

Drug info:

PubChemData

Smile

COC1=C(C(=C(C=C1)C2(CCCC2)N)OC)Cl

DOS

IR

Vibrations