Geometry & MOs

Info

ID:	204650
PubChem CID:	79993452
Reduced:	SN2O4H10C14 (1)
Stoich.:	AB2C4D10E14 (1)
Weight, g/mol:	262.168128
ΔH_f, kcal/mol:	-75.36
Dipole, Da:	3.69
IP(EA), eV:	-9.58(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-amino-5-methylpiperidin-1-yl)-2-methoxy-2-phenylethanone

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1C(=O)NCC3=CC=C(O3)C(=O)O)SC=N2

DOS

IR

Vibrations