Geometry & MOs

Info

ID:	164855
PubChem CID:	74462221
Reduced:	N3O4C19H23 (1)
Stoich.:	A3B4C19D23 (1)
Weight, g/mol:	370.19308
ΔH_f, kcal/mol:	-132.57
Dipole, Da:	6.21
IP(EA), eV:	-8.53(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-[2-(2-fluoro-4-methylanilino)-2-oxoethyl]-N-phenylpiperidin-1-ium-3-carboxamide

Drug info:

PubChemData

Smile

CC1C(C(NC(=O)C1C#N)C)CCC(=O)NC2=CC3=C(C=C2)OCCO3

DOS

IR

Vibrations