Geometry & MOs

Info

ID:	405613
PubChem CID:	135074633
Reduced:	FN2O3C23H25 (1)
Stoich.:	AB2C3D23E25 (1)
Weight, g/mol:	454.225643
ΔH_f, kcal/mol:	-99.09
Dipole, Da:	2.75
IP(EA), eV:	-8.65(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC(=O)OC/C=C/CN(CCC1=CNC2=C1C=C(C=C2)F)CC3=CC=CC=C3

DOS

IR

Vibrations