Geometry & MOs

Info

ID:	290589
PubChem CID:	109757067
Reduced:	O3N4C19H28 (1)
Stoich.:	A3B4C19D28 (1)
Weight, g/mol:	257.156184
ΔH_f, kcal/mol:	-92.32
Dipole, Da:	6.57
IP(EA), eV:	-8.26(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-2-(2-methylsulfanylethyl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)guanidine

Drug info:

PubChemData

Smile

CCNC(=NCC1=CC(=C(C=C1)OC)NC(=O)C)NC2CC3CCC2O3

DOS

IR

Vibrations