Geometry & MOs

Info

ID:	309468
PubChem CID:	126546459
Reduced:	ON2C9H13 (2)
Stoich.:	AB2C9D13 (2)
Weight, g/mol:	232.157563
ΔH_f, kcal/mol:	-22.49
Dipole, Da:	3.61
IP(EA), eV:	-9.25(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(4-methylanilino)piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CN/C(=C\C=NC)/C(=O)NC[C@H](CN1CCC2=CC=CC=C2C1)O

DOS

IR

Vibrations