Geometry & MOs

Info

ID:	290973
PubChem CID:	111677739
Reduced:	FIO2N4C19H30 (1)
Stoich.:	ABC2D4E19F30 (1)
Weight, g/mol:	364.227454
ΔH_f, kcal/mol:	-99.43
Dipole, Da:	1.95
IP(EA), eV:	-8.54(-0.26)
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

Drug info:

PubChemData

Smile

CC(CNC(=NC)NCC1CN2CCCC2CO1)OC3=CC=C(C=C3)F.I

DOS

IR

Vibrations