Geometry & MOs

Info

ID:	351746
PubChem CID:	127282146
Reduced:	SO2N3C21H29 (1)
Stoich.:	AB2C3D21E29 (1)
Weight, g/mol:	396.252526
ΔH_f, kcal/mol:	-82.99
Dipole, Da:	4.65
IP(EA), eV:	-8.68(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopentyl-2-[4-[2-(2-methyl-1H-indol-3-yl)acetyl]piperazin-1-yl]propanamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1CCCC1)N2CCN(CC2)C(=O)C3CC4=CC=CC=C4S3

DOS

IR

Vibrations