Geometry & MOs

Info

ID:	421575
PubChem CID:	135116251
Reduced:	FN2O3C18H25 (1)
Stoich.:	AB2C3D18E25 (1)
Weight, g/mol:	383.220892
ΔH_f, kcal/mol:	-168.95
Dipole, Da:	2.77
IP(EA), eV:	-8.95(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[2-[(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]-2-oxoethyl]indol-3-yl]butan-1-one

Drug info:

PubChemData

Smile

CN1CCC[C@]2([C@H]1CN(CC2)C(=O)CC3=CC(=C(C=C3)O)F)CO

DOS

IR

Vibrations