Geometry & MOs

Info

ID:	207023
PubChem CID:	80334982
Reduced:	OSN6C13H20 (1)
Stoich.:	ABC6D13E20 (1)
Weight, g/mol:	263.199762
ΔH_f, kcal/mol:	58.15
Dipole, Da:	4.91
IP(EA), eV:	-9.19(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[cyclopropyl-[4-[1-(propylamino)ethyl]pyridin-2-yl]amino]ethanol

Drug info:

PubChemData

Smile

CCCNCCN1C(=NN=N1)SCC2=C(N=CC=C2)OC

DOS

IR

Vibrations