Geometry & MOs

Info

ID:	344497
PubChem CID:	127268081
Reduced:	ON6C20H24 (1)
Stoich.:	AB6C20D24 (1)
Weight, g/mol:	394.236876
ΔH_f, kcal/mol:	68.12
Dipole, Da:	8.87
IP(EA), eV:	-8.85(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopentyl-N-cyclopropyl-2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1=NN=C(N1C2CC2)CN3CCN(CC3)C(=O)C4=CC5=CC=CC=C5N4

DOS

IR

Vibrations