Geometry & MOs

Info

ID:	308810
PubChem CID:	126522783
Reduced:	SN5H15C23 (1)
Stoich.:	AB5C15D23 (1)
Weight, g/mol:	443.242021
ΔH_f, kcal/mol:	208.11
Dipole, Da:	4.24
IP(EA), eV:	-8.47(-1.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-tert-butyl-2-carbamoyloxolan-3-yl)-5-(5-methoxy-1H-indol-3-yl)piperidine-1-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC=NC(=C1)C2=CC\3=C(C=C2)NN/C3=C/4\C=C5C(=CC=NC5=N4)C6=CC=CS6

DOS

IR

Vibrations