Geometry & MOs

Info

ID:	290590
PubChem CID:	109757109
Reduced:	OSN3C12H23 (1)
Stoich.:	ABC3D12E23 (1)
Weight, g/mol:	460.14476
ΔH_f, kcal/mol:	-32.54
Dipole, Da:	4.68
IP(EA), eV:	-8.61(0.68)
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-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)guanidine;hydroiodide

Drug info:

PubChemData

Smile

CCNC(=NCCSC)NC1CC2CCC1O2

DOS

IR

Vibrations