Geometry & MOs

Info

ID:	290972
PubChem CID:	111677738
Reduced:	FO2N4C17H29 (1)
Stoich.:	AB2C4D17E29 (1)
Weight, g/mol:	492.13975
ΔH_f, kcal/mol:	-94.22
Dipole, Da:	1.66
IP(EA), eV:	-8.88(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-3-[2-(4-fluorophenoxy)propyl]-2-methylguanidine;hydroiodide

Drug info:

PubChemData

Smile

CC(CNC(=NC)NCCN(C)CCOC)OC1=CC=C(C=C1)F

DOS

IR

Vibrations