Geometry & MOs

Info

ID:	290572
PubChem CID:	109756589
Reduced:	O2N3C16H23 (1)
Stoich.:	A2B3C16D23 (1)
Weight, g/mol:	321.187484
ΔH_f, kcal/mol:	-44.03
Dipole, Da:	6.45
IP(EA), eV:	-8.84(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-2-(2-methyl-3-thiophen-2-ylpropyl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)guanidine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations