Geometry & MOs

Info

ID:	154965
PubChem CID:	56314522
Reduced:	FON5C25H30 (1)
Stoich.:	ABC5D25E30 (1)
Weight, g/mol:	438.243104
ΔH_f, kcal/mol:	-10.54
Dipole, Da:	4.05
IP(EA), eV:	-8.4(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]ethyl]-2-(5-methoxyindol-1-yl)acetamide

Drug info:

PubChemData

Smile

CCN1CCN(CC1)C2=C(C=C(C=C2)F)C(C)NC(=O)C3=NN(C(=C3)C)C4=CC=CC=C4

DOS

IR

Vibrations