Geometry & MOs

Info

ID:	417526
PubChem CID:	135098642
Reduced:	FO2N4C16H19 (1)
Stoich.:	AB2C4D16E19 (1)
Weight, g/mol:	331.169605
ΔH_f, kcal/mol:	-64.7
Dipole, Da:	5.92
IP(EA), eV:	-8.68(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-fluoro-3-methyl-1H-indol-2-yl)-[(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]methanone

Drug info:

PubChemData

Smile

COC1=NC(=NC=C1F)N2CCC(CC2)C(C3=CC=CC=N3)O

DOS

IR

Vibrations