Geometry & MOs

Info

ID:	317811
PubChem CID:	126645853
Reduced:	N2F3O4H15C17 (1)
Stoich.:	A2B3C4D15E17 (1)
Weight, g/mol:	188.079707
ΔH_f, kcal/mol:	-237.59
Dipole, Da:	5.44
IP(EA), eV:	-8.94(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,2R,4R)-4-carbamoyl-2-hydroxycyclopentyl]carbamic acid

Drug info:

PubChemData

Smile

C1COC2=C(N1CC3=CC=CC=C3OC(F)(F)F)C=C(C=C2)C(=O)NO

DOS

IR

Vibrations