Geometry & MOs

Info

ID:	405611
PubChem CID:	135074631
Reduced:	OH22C32 (1)
Stoich.:	AB22C32 (1)
Weight, g/mol:	398.13972
ΔH_f, kcal/mol:	205.28
Dipole, Da:	2.32
IP(EA), eV:	-8.5(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-4-[benzyl-[(6-chloro-1H-indol-2-yl)methyl]amino]but-2-enyl] methyl carbonate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C#CC(C#CC2=CC=CC=C2)(C3C(=C3C4=CC=CC=C4)C5=CC=CC=C5)O

DOS

IR

Vibrations