Geometry & MOs

Info

ID:	351764
PubChem CID:	127282164
Reduced:	O3N4C22H28 (1)
Stoich.:	A3B4C22D28 (1)
Weight, g/mol:	396.252526
ΔH_f, kcal/mol:	-51.92
Dipole, Da:	5.93
IP(EA), eV:	-9.01(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopentyl-2-[4-(1-ethylindole-3-carbonyl)piperazin-1-yl]propanamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1CCCC1)N2CCN(CC2)C(=O)C3=NOC(=C3)C4=CC=CC=C4

DOS

IR

Vibrations