Geometry & MOs

Info

ID:	290829
PubChem CID:	111123582
Reduced:	O2N3C17H25 (1)
Stoich.:	A2B3C17D25 (1)
Weight, g/mol:	462.14917
ΔH_f, kcal/mol:	-52.2
Dipole, Da:	1.98
IP(EA), eV:	-8.36(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methoxyethyl)-2-[[4-(1-phenylethylamino)oxan-4-yl]methyl]guanidine;hydroiodide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1OC2CCCC2)CNC3=NCCCN3

DOS

IR

Vibrations