Geometry & MOs

Info

ID:	159010
PubChem CID:	57244513
Reduced:	NC8H11 (2)
Stoich.:	AB8C11 (2)
Weight, g/mol:	383.187878
ΔH_f, kcal/mol:	34.78
Dipole, Da:	2.59
IP(EA), eV:	-8.18(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[2-(5-ethoxycarbonyl-1H-imidazol-2-yl)-2-sulfanylethyl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC1(CC(=NNC2=CC=CC=C2)C(C=C1)(C)C)C

DOS

IR

Vibrations