Geometry & MOs

Info

ID:	422673
PubChem CID:	135118226
Reduced:	ON3C18H25 (1)
Stoich.:	AB3C18D25 (1)
Weight, g/mol:	371.184506
ΔH_f, kcal/mol:	25.75
Dipole, Da:	4.18
IP(EA), eV:	-9.14(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S,5R)-7-(3,5-dimethyl-1H-indole-2-carbonyl)-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]acetic acid

Drug info:

PubChemData

Smile

CN(CCC1=CC=CC=N1)CC2=CC(=NO2)C3CCCCC3

DOS

IR

Vibrations