Geometry & MOs

Info

ID:	393046
PubChem CID:	135019105
Reduced:	NH25C30 (1)
Stoich.:	AB25C30 (1)
Weight, g/mol:	341.04153
ΔH_f, kcal/mol:	113.96
Dipole, Da:	2.94
IP(EA), eV:	-8.29(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-3-[(1S)-1-(4-methoxyphenyl)prop-2-enyl]-1H-indole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC2=C(C=C(N2CC3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations