Geometry & MOs

Info

ID:	209770
PubChem CID:	80719813
Reduced:	ClON3C13H14 (1)
Stoich.:	ABC3D13E14 (1)
Weight, g/mol:	238.168128
ΔH_f, kcal/mol:	-0.66
Dipole, Da:	7.38
IP(EA), eV:	-8.54(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-amino-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

C1CC2C(CC1O2)N3C4=C(C=C(C=C4)Cl)N=C3N

DOS

IR

Vibrations