Geometry & MOs

Info

ID:	170343
PubChem CID:	75219214
Reduced:	O3C23H32 (1)
Stoich.:	A3B23C32 (1)
Weight, g/mol:	440.221226
ΔH_f, kcal/mol:	-126.29
Dipole, Da:	0.44
IP(EA), eV:	-9.16(0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1H-indol-3-ylmethyl)-6-[[1-(2-methylbut-3-en-2-yl)indol-3-yl]methyl]piperazine-2,5-dione

Drug info:

PubChemData

Smile

CC12CC=C(C3(C1CCC24OCCO4)CCC5(O3)CCCCC5=C)C=C

DOS

IR

Vibrations