Geometry & MOs

Info

ID:	160882
PubChem CID:	57390117
Reduced:	N3O4C26H37 (1)
Stoich.:	A3B4C26D37 (1)
Weight, g/mol:	479.02431
ΔH_f, kcal/mol:	-119.02
Dipole, Da:	3.61
IP(EA), eV:	-8.37(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1H-indol-2-yl-[4-(3-iodoanilino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]methanone

Drug info:

PubChemData

Smile

CCOCCOCC1=CC=C(C=C1)C(=O)NCCCN2CCN(CC2)C3=CC=CC=C3OC

DOS

IR

Vibrations