Geometry & MOs

Info

ID:	84629
PubChem CID:	49868915
Reduced:	FO2N4C27H27 (1)
Stoich.:	AB2C4D27E27 (1)
Weight, g/mol:	401.185175
ΔH_f, kcal/mol:	-43.26
Dipole, Da:	2.65
IP(EA), eV:	-8.08(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1H-indol-2-yl-[7-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-4-yl)-4,7-diazaspiro[2.5]octan-4-yl]methanone

Drug info:

PubChemData

Smile

CN1C2=C(C3CCCCN3CC2)C4=C1C=C(C=C4)N5C=CC(=CC5=O)OCC6=NC=C(C=C6)F

DOS

IR

Vibrations