Geometry & MOs

Info

ID:	307793
PubChem CID:	125309287
Reduced:	FON2H23C26 (1)
Stoich.:	ABC2D23E26 (1)
Weight, g/mol:	356.221226
ΔH_f, kcal/mol:	21.71
Dipole, Da:	2.93
IP(EA), eV:	-9.2(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(4-ethylpiperazin-1-yl)propyl]-2-[(2S)-2-methyl-2H-indol-3-yl]-2-oxoacetamide

Drug info:

PubChemData

Smile

CCCCN1[C@@H](C2=CC=CC=C2C1=O)C3=C4C=CC=CC4=N[C@@H]3C5=CC=C(C=C5)F

DOS

IR

Vibrations