Geometry & MOs

Info

ID:	258746
PubChem CID:	103156746
Reduced:	N2O3C9H18 (1)
Stoich.:	A2B3C9D18 (1)
Weight, g/mol:	278.199428
ΔH_f, kcal/mol:	-126.54
Dipole, Da:	4.26
IP(EA), eV:	-9.78(0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclopentyl-3-[6-(ethylaminomethyl)pyridin-3-yl]oxypropan-2-ol

Drug info:

PubChemData

Smile

COC(CC(=O)NC1(CC1)CO)CN

DOS

IR

Vibrations