Geometry & MOs

Info

ID:	423434
PubChem CID:	135119496
Reduced:	ON6C18H26 (1)
Stoich.:	AB6C18D26 (1)
Weight, g/mol:	331.169605
ΔH_f, kcal/mol:	21.38
Dipole, Da:	4.38
IP(EA), eV:	-9.26(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)C1=NNC(=C1)CN(C)C2=NC(=CN=C2)C(=O)N3CCCC3

DOS

IR

Vibrations