Geometry & MOs

Info

ID:	418709
PubChem CID:	135106630
Reduced:	SO2N4C24H26 (1)
Stoich.:	AB2C4D24E26 (1)
Weight, g/mol:	327.194677
ΔH_f, kcal/mol:	5.89
Dipole, Da:	6.56
IP(EA), eV:	-9.18(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(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

C1C[C@H]2[C@@](C[C@@H]1N2C(=O)C3=CC=CN3)(CC4=CSC=N4)C(=O)NCCC5=CC=CC=C5

DOS

IR

Vibrations