Geometry & MOs

Info

ID:	287783
PubChem CID:	104294388
Reduced:	ClO3N4C13H15 (1)
Stoich.:	AB3C4D13E15 (1)
Weight, g/mol:	282.15437
ΔH_f, kcal/mol:	4.2
Dipole, Da:	3.2
IP(EA), eV:	-9.89(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,4-difluoro-5-methylphenyl)-[3-(ethylamino)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)[N+](=O)[O-])C2=NN=C(N2CCOC)CCl

DOS

IR

Vibrations