Geometry & MOs

Info

ID:	58435
PubChem CID:	24701363
Reduced:	F2N2O3H8C12 (1)
Stoich.:	A2B2C3D8E12 (1)
Weight, g/mol:	212.188863
ΔH_f, kcal/mol:	-173.02
Dipole, Da:	8.82
IP(EA), eV:	-10.67(-1.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-1-(2-methylpiperidin-1-yl)hexan-1-one

Drug info:

PubChemData

Smile

CC1=C(C(=O)N=C(N1)C2=CC(=CC(=C2)F)F)C(=O)O

DOS

IR

Vibrations