Geometry & MOs

Info

ID:	238694
PubChem CID:	92765084
Reduced:	O2N4C21H32 (1)
Stoich.:	A2B4C21D32 (1)
Weight, g/mol:	358.236876
ΔH_f, kcal/mol:	-82.19
Dipole, Da:	3.33
IP(EA), eV:	-8.22(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[2-(4-ethylpiperazin-1-yl)ethyl]-1-propanoyl-2,3-dihydroindole-2-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations