Geometry & MOs

Info

ID:	244800
PubChem CID:	99381475
Reduced:	BrO2N3C16H18 (1)
Stoich.:	AB2C3D16E18 (1)
Weight, g/mol:	363.05824
ΔH_f, kcal/mol:	-59.51
Dipole, Da:	5.56
IP(EA), eV:	-9.02(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2S)-1-(3-bromo-1H-indole-2-carbonyl)piperidin-2-yl]acetamide

Drug info:

PubChemData

Smile

C1CCN([C@H](C1)CC(=O)N)C(=O)C2=C(C3=CC=CC=C3N2)Br

DOS

IR

Vibrations