Geometry & MOs

Info

ID:	196519
PubChem CID:	78841143
Reduced:	N3O3C23H33 (1)
Stoich.:	A3B3C23D33 (1)
Weight, g/mol:	267.1293
ΔH_f, kcal/mol:	-90.02
Dipole, Da:	6.94
IP(EA), eV:	-8.0(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-pyridin-4-ylpropyl 2-tert-butylsulfanylacetate

Drug info:

PubChemData

Smile

CC1CCC(CC1)(C#N)N(C)C(=O)C(C)N2CCC3=CC(=C(C=C3C2)OC)OC

DOS

IR

Vibrations