Geometry & MOs

Info

ID:	314014
PubChem CID:	126619565
Reduced:	N3C19H19 (1)
Stoich.:	A3B19C19 (1)
Weight, g/mol:	248.188863
ΔH_f, kcal/mol:	127.54
Dipole, Da:	8.05
IP(EA), eV:	-8.59(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-3-[3-(cyclopentylmethoxy)phenyl]propane-1,2-diamine

Drug info:

PubChemData

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C#CC1=C[C@H](CC1)N2C[C@@H]3C[C@H]2CN3C4=CC=C(C=C4)C#N

DOS

IR

Vibrations