Geometry & MOs

Info

ID:	141059
PubChem CID:	52811657
Reduced:	ClO2N3C16H18 (1)
Stoich.:	AB2C3D16E18 (1)
Weight, g/mol:	319.108754
ΔH_f, kcal/mol:	-71.58
Dipole, Da:	2.33
IP(EA), eV:	-9.05(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2S)-1-(5-chloro-1H-indole-2-carbonyl)piperidin-2-yl]acetamide

Drug info:

PubChemData

Smile

C1CCN([C@H](C1)CC(=O)N)C(=O)C2=CC3=C(N2)C=CC(=C3)Cl

DOS

IR

Vibrations