Geometry & MOs

Info

ID:	290908
PubChem CID:	111638421
Reduced:	FISO2N4C20H26 (1)
Stoich.:	ABCD2E4F20G26 (1)
Weight, g/mol:	526.16049
ΔH_f, kcal/mol:	-39.56
Dipole, Da:	6.4
IP(EA), eV:	-9.24(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-3-[[1-(3-fluorophenyl)cyclopropyl]methyl]-2-[[4-(2-methoxyethylamino)phenyl]methyl]guanidine;hydroiodide

Drug info:

PubChemData

Smile

CNS(=O)(=O)C1=CC=CC(=C1)CNC(=NC)NCC2(CC2)C3=CC(=CC=C3)F.I

DOS

IR

Vibrations