Geometry & MOs

Info

ID:	16493
PubChem CID:	471074
Reduced:	N3O3H17C18 (1)
Stoich.:	A3B3C17D18 (1)
Weight, g/mol:	323.126991
ΔH_f, kcal/mol:	-38.87
Dipole, Da:	1.28
IP(EA), eV:	-8.9(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

furan-2-yl-[4-(1H-indole-2-carbonyl)piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CN(CCN1C(=O)C2=CC=CO2)C(=O)C3=CC4=CC=CC=C4N3

DOS

IR

Vibrations