Geometry & MOs

Info

ID:	413469
PubChem CID:	135086418
Reduced:	BrON2H9C12 (2)
Stoich.:	ABC2D9E12 (2)
Weight, g/mol:	326.028
ΔH_f, kcal/mol:	51.8
Dipole, Da:	4.31
IP(EA), eV:	-8.33(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E)-(3-iodoindol-2-ylidene)methyl]-2-methylpropan-2-amine

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1)C3=C(N2)C(=NCC3)C4=NC=CC5=C4NC6=CC(=C(C=C56)OC)Br)Br

DOS

IR

Vibrations