Geometry & MOs

Info

ID:	248609
PubChem CID:	103083008
Reduced:	FNOSC15H20 (1)
Stoich.:	ABCDE15F20 (1)
Weight, g/mol:	233.177964
ΔH_f, kcal/mol:	-82.21
Dipole, Da:	3.31
IP(EA), eV:	-8.45(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methoxy-N-[1-(4-methylphenyl)ethyl]cyclopentan-1-amine

Drug info:

PubChemData

Smile

COC1CCC(C1)NC2CCSC3=C2C=CC=C3F

DOS

IR

Vibrations