Geometry & MOs

Info

ID:	238697
PubChem CID:	92765087
Reduced:	ON2C13H17 (2)
Stoich.:	AB2C13D17 (2)
Weight, g/mol:	406.236876
ΔH_f, kcal/mol:	-50.63
Dipole, Da:	3.1
IP(EA), eV:	-8.34(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-benzoyl-N-[3-(4-methylpiperazin-1-yl)propyl]-2,3-dihydroindole-2-carboxamide

Drug info:

PubChemData

Smile

CCC(=O)N1[C@H](CC2=CC=CC=C21)C(=O)NCCCN3CCN(CC3)CC4=CC=CC=C4

DOS

IR

Vibrations