Geometry & MOs

Info

ID:	422716
PubChem CID:	135118294
Reduced:	SN2O2C18H22 (1)
Stoich.:	AB2C2D18E22 (1)
Weight, g/mol:	345.185255
ΔH_f, kcal/mol:	-45.27
Dipole, Da:	6.4
IP(EA), eV:	-8.86(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CN=C(C=C1)C2(CCN(CC2)CC3=CSC(=C3)C(=O)C)O

DOS

IR

Vibrations