Geometry & MOs

Info

ID:	258944
PubChem CID:	103157492
Reduced:	ON5C9H13 (1)
Stoich.:	AB5C9D13 (1)
Weight, g/mol:	243.183444
ΔH_f, kcal/mol:	35.36
Dipole, Da:	4.75
IP(EA), eV:	-9.41(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(3-cyclopentyl-2-hydroxypropyl)amino]propanoate

Drug info:

PubChemData

Smile

COC(CC1=NN=C2N1C=NC=C2)CN

DOS

IR

Vibrations