Geometry & MOs

Info

ID:	289897
PubChem CID:	104383936
Reduced:	OSN2C15H20 (1)
Stoich.:	ABC2D15E20 (1)
Weight, g/mol:	295.225977
ΔH_f, kcal/mol:	-24.06
Dipole, Da:	3.92
IP(EA), eV:	-8.41(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(azepan-1-yl)-2-[(2-oxo-2-piperidin-1-ylethyl)amino]propan-1-one

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)CNCC2CSC3=CC=CC=C23

DOS

IR

Vibrations