Geometry & MOs

Info

ID:	405612
PubChem CID:	135074632
Reduced:	ClN2O3C22H23 (1)
Stoich.:	AB2C3D22E23 (1)
Weight, g/mol:	396.184921
ΔH_f, kcal/mol:	-58.77
Dipole, Da:	4.54
IP(EA), eV:	-8.57(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-4-[benzyl-[2-(5-fluoro-1H-indol-3-yl)ethyl]amino]but-2-enyl] methyl carbonate

Drug info:

PubChemData

Smile

COC(=O)OC/C=C/CN(CC1=CC=CC=C1)CC2=CC3=C(N2)C=C(C=C3)Cl

DOS

IR

Vibrations