Geometry & MOs

Info

ID:	431077
PubChem CID:	135171147
Reduced:	OSN5C22H27 (1)
Stoich.:	ABC5D22E27 (1)
Weight, g/mol:	316.178693
ΔH_f, kcal/mol:	45.83
Dipole, Da:	6.15
IP(EA), eV:	-8.77(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 5-piperidin-4-yloxyindole-1-carboxylate

Drug info:

PubChemData

Smile

CCN(C1CCCC(C1)NC2=NN=C(S2)C3CC3)C(=O)C4=CC5=CC=CC=C5N4

DOS

IR

Vibrations