Geometry & MOs

Info

ID:	130897
PubChem CID:	51123586
Reduced:	BrN3O3H12C16 (1)
Stoich.:	AB3C3D12E16 (1)
Weight, g/mol:	367.085432
ΔH_f, kcal/mol:	-66.73
Dipole, Da:	4.92
IP(EA), eV:	-9.2(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-dichloro-N-(3-oxo-3-piperidin-1-ylpropyl)-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)Br)NC(=O)C2=CC3=C(C=C2)NC(=O)C(=O)N3

DOS

IR

Vibrations