Geometry & MOs

Info

ID:	307567
PubChem CID:	125307523
Reduced:	NO2C6H6 (2)
Stoich.:	AB2C6D6 (2)
Weight, g/mol:	349.179027
ΔH_f, kcal/mol:	-75.2
Dipole, Da:	3.17
IP(EA), eV:	-8.52(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3S)-6-methoxy-3H-indol-3-yl]-2-(4-phenylpiperazin-1-yl)ethanone

Drug info:

PubChemData

Smile

COC1=CC(=C2CC(=NN2)C(=O)OC)C=CC1=O

DOS

IR

Vibrations