Geometry & MOs

Info

ID:	290569
PubChem CID:	109756568
Reduced:	ION3C19H30 (1)
Stoich.:	ABC3D19E30 (1)
Weight, g/mol:	291.174691
ΔH_f, kcal/mol:	-26.93
Dipole, Da:	5.76
IP(EA), eV:	-8.52(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCNC(=NCCC1=C(C=C(C=C1)C)C)NC2CC3CCC2O3.I

DOS

IR

Vibrations