Geometry & MOs

Info

ID:	290586
PubChem CID:	109757037
Reduced:	OCl2N3C16H21 (1)
Stoich.:	AB2C3D16E21 (1)
Weight, g/mol:	407.05283
ΔH_f, kcal/mol:	-22.1
Dipole, Da:	6.77
IP(EA), eV:	-9.11(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-3-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-(thiophen-2-ylmethyl)guanidine;hydroiodide

Drug info:

PubChemData

Smile

CCNC(=NCC1=C(C=C(C=C1)Cl)Cl)NC2CC3CCC2O3

DOS

IR

Vibrations