Geometry & MOs

Info

ID:	405667
PubChem CID:	135074882
Reduced:	NO7C20H23 (1)
Stoich.:	AB7C20D23 (1)
Weight, g/mol:	404.209993
ΔH_f, kcal/mol:	-247.29
Dipole, Da:	2.6
IP(EA), eV:	-8.45(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-4-[benzyl-[(3-prop-2-enyl-1H-indol-4-yl)methyl]amino]but-2-enyl] methyl carbonate

Drug info:

PubChemData

Smile

COC(=O)C(C/C=C/COC(=O)OC)(CC1=C2C=CNC2=CC=C1)C(=O)OC

DOS

IR

Vibrations