Geometry & MOs

Info

ID:	405683
PubChem CID:	135074997
Reduced:	NOH19C21 (1)
Stoich.:	ABC19D21 (1)
Weight, g/mol:	474.17102
ΔH_f, kcal/mol:	86.03
Dipole, Da:	3.76
IP(EA), eV:	-8.31(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=C(C2=CC=CC=C21)C(C3(CC3)C#CC4=CC=CC=C4)O

DOS

IR

Vibrations