Geometry & MOs

Info

ID:	317737
PubChem CID:	126645593
Reduced:	F3O3N7H10C17 (1)
Stoich.:	A3B3C7D10E17 (1)
Weight, g/mol:	126.079313
ΔH_f, kcal/mol:	-97.22
Dipole, Da:	8.11
IP(EA), eV:	-9.41(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,3R,4R)-3-amino-4-hydroxycyclopentane-1-carbonitrile

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(=O)N=[N+]=[N-])NC(=O)C2=NN(C=N2)C3=CC=C(C=C3)OC(F)(F)F

DOS

IR

Vibrations