Geometry & MOs

Info

ID:	291091
PubChem CID:	111677880
Reduced:	O2N3F4C16H23 (1)
Stoich.:	A2B3C4D16E23 (1)
Weight, g/mol:	516.15098
ΔH_f, kcal/mol:	-261.37
Dipole, Da:	6.03
IP(EA), eV:	-9.02(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-fluorophenoxy)propyl]-2-methyl-3-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]guanidine;hydroiodide

Drug info:

PubChemData

Smile

CC(CNC(=NC)NCCCOCC(F)(F)F)OC1=CC=C(C=C1)F

DOS

IR

Vibrations