Geometry & MOs

Info

ID:	196115
PubChem CID:	78782839
Reduced:	FN2O4C17H25 (1)
Stoich.:	AB2C4D17E25 (1)
Weight, g/mol:	381.060626
ΔH_f, kcal/mol:	-210.66
Dipole, Da:	2.84
IP(EA), eV:	-9.05(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)N1CCN(CC1)CC(COCC2=CC=CC=C2F)O

DOS

IR

Vibrations