Geometry & MOs

Info

ID:	290570
PubChem CID:	109756577
Reduced:	FON3C16H22 (1)
Stoich.:	ABC3D16E22 (1)
Weight, g/mol:	445.12262
ΔH_f, kcal/mol:	-50.63
Dipole, Da:	5.97
IP(EA), eV:	-9.12(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-[(4-propan-2-yloxyphenyl)methyl]guanidine;hydroiodide

Drug info:

PubChemData

Smile

CCNC(=NCC1=CC(=CC=C1)F)NC2CC3CCC2O3

DOS

IR

Vibrations