Geometry & MOs

Info

ID:	248452
PubChem CID:	103081726
Reduced:	ClNOSC15H18 (1)
Stoich.:	ABCDE15F18 (1)
Weight, g/mol:	307.029747
ΔH_f, kcal/mol:	-20.72
Dipole, Da:	1.21
IP(EA), eV:	-8.71(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methoxy-N-[(2,3,6-trichlorophenyl)methyl]cyclopentan-1-amine

Drug info:

PubChemData

Smile

COC1CCC(C1)NCC2=C(C3=CC=CC=C3S2)Cl

DOS

IR

Vibrations