Geometry & MOs

Info

ID:	324508
PubChem CID:	126677785
Reduced:	ON4H30C48 (1)
Stoich.:	AB4C30D48 (1)
Weight, g/mol:	281.164046
ΔH_f, kcal/mol:	214.59
Dipole, Da:	3.44
IP(EA), eV:	-7.92(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1-ethylindol-4-yl)methyl]pyridine-2,3,6-triamine

Drug info:

PubChemData

Smile

C1CC2=CC=CC=C2C(=C1)N3C4=CC=CC=C4C5=C3C6=C(C=C5)N(C7=C6C8=C(C=C7)C9=CC=CC=C9O8)C1=NC2=CC=CC=C2C(=N1)C1=CC=CC=C1

DOS

IR

Vibrations