Geometry & MOs

Info

ID:	207281
PubChem CID:	80371527
Reduced:	N4O4C11H14 (1)
Stoich.:	A4B4C11D14 (1)
Weight, g/mol:	268.13872
ΔH_f, kcal/mol:	-103.79
Dipole, Da:	3.74
IP(EA), eV:	-10.1(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-amino-5-methylpiperidin-1-yl)-2-(3,4-difluorophenyl)ethanone

Drug info:

PubChemData

Smile

C1CC1C2=NC(=NN2)C(=O)N3CC(C[C@H]3C(=O)O)O

DOS

IR

Vibrations