Geometry & MOs

Info

ID:	422401
PubChem CID:	135117775
Reduced:	NO2C22H29 (1)
Stoich.:	AB2C22D29 (1)
Weight, g/mol:	345.185255
ΔH_f, kcal/mol:	-86.35
Dipole, Da:	1.23
IP(EA), eV:	-8.5(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C2=CC=CC=C12)CN3CCC4(CC3)CC(CCO4)(C)O

DOS

IR

Vibrations