Geometry & MOs

Info

ID:	391704
PubChem CID:	135008695
Reduced:	NF3O6C14H16 (1)
Stoich.:	AB3C6D14E16 (1)
Weight, g/mol:	398.256943
ΔH_f, kcal/mol:	-324.04
Dipole, Da:	5.09
IP(EA), eV:	-10.67(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[(1E)-cyclodecen-1-yl]-1-(pyridine-2-carbonylamino)cyclohexane-1-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C(=CC(=C1)C(F)(F)F)[N+](=O)[O-])CC(OC)OC

DOS

IR

Vibrations