Geometry & MOs

Info

ID:	200915
PubChem CID:	79461610
Reduced:	O2N3C15H23 (1)
Stoich.:	A2B3C15D23 (1)
Weight, g/mol:	174.136828
ΔH_f, kcal/mol:	-95.32
Dipole, Da:	3.63
IP(EA), eV:	-8.62(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3-aminocyclopentyl)amino]propane-1,2-diol

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1CCC(C1)NC2=CN=CC=C2

DOS

IR

Vibrations