Geometry & MOs

Info

ID:	371409
PubChem CID:	127346280
Reduced:	O2N5C16H21 (1)
Stoich.:	A2B5C16D21 (1)
Weight, g/mol:	357.205242
ΔH_f, kcal/mol:	-14.77
Dipole, Da:	1.49
IP(EA), eV:	-8.36(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]-2-(oxolan-3-yl)ethanone

Drug info:

PubChemData

Smile

CCC1=C(N=CO1)C(=O)NC2=NC=C(C=C2)N3CCN(CC3)C

DOS

IR

Vibrations