Geometry & MOs

Info

ID:	291017
PubChem CID:	111677790
Reduced:	FO3N4C19H25 (1)
Stoich.:	AB3C4D19E25 (1)
Weight, g/mol:	530.16663
ΔH_f, kcal/mol:	-113.84
Dipole, Da:	3.43
IP(EA), eV:	-8.88(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-2-[2-(4-fluorophenoxy)propyl]-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

CCNC(=NCC(=O)NCC1=CC=CO1)NCC(C)OC2=CC=C(C=C2)F

DOS

IR

Vibrations