Geometry & MOs

Info

ID:	290568
PubChem CID:	109749409
Reduced:	BrON4C16H29 (1)
Stoich.:	ABC4D16E29 (1)
Weight, g/mol:	443.14336
ΔH_f, kcal/mol:	-20.72
Dipole, Da:	3.39
IP(EA), eV:	-8.81(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(2,4-dimethylphenyl)ethyl]-1-ethyl-3-(7-oxabicyclo[2.2.1]heptan-2-yl)guanidine;hydroiodide

Drug info:

PubChemData

Smile

CC(C)(C)C(CNC(=NC)N(C)CC1=CC(=CN1C)Br)OC

DOS

IR

Vibrations