Geometry & MOs

Info

ID:	79952
PubChem CID:	49831758
Reduced:	O2C11H14 (2)
Stoich.:	A2B11C14 (2)
Weight, g/mol:	407.220892
ΔH_f, kcal/mol:	-125.7
Dipole, Da:	2.3
IP(EA), eV:	-8.3(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3Z,6S)-3-[[7-[(E)-4-hydroxy-3-methylbut-2-enyl]-2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methylidene]-6-methylpiperazine-2,5-dione

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)/C=C/CC[C@H](CCC2=CC(=C(C=C2)OC)OC)O

DOS

IR

Vibrations