Geometry & MOs

Info

ID:	41105
PubChem CID:	8145255
Reduced:	O3N4C22H32 (1)
Stoich.:	A3B4C22D32 (1)
Weight, g/mol:	407.220892
ΔH_f, kcal/mol:	-119.18
Dipole, Da:	2.43
IP(EA), eV:	-8.7(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-5-propan-2-ylindole-2,3-dione

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1N2CCN(CC2)CN3C(=O)[C@@]4(CCCC[C@@H]4C)NC3=O

DOS

IR

Vibrations