Geometry & MOs

Info

ID:	291946
PubChem CID:	113899724
Reduced:	SN5C12H21 (1)
Stoich.:	AB5C12D21 (1)
Weight, g/mol:	245.199094
ΔH_f, kcal/mol:	35.49
Dipole, Da:	2.87
IP(EA), eV:	-8.59(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[(1R)-1-cyclopentylethyl]amino]-3-(2-methoxyethoxy)propan-2-ol

Drug info:

PubChemData

Smile

CN1CCN(C(C1)CNC2=CC(=NC=N2)SC)C

DOS

IR

Vibrations