Geometry & MOs

Info

ID:	337274
PubChem CID:	127256956
Reduced:	N3O3C17H19 (1)
Stoich.:	A3B3C17D19 (1)
Weight, g/mol:	297.103479
ΔH_f, kcal/mol:	-69.86
Dipole, Da:	3.14
IP(EA), eV:	-9.19(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(benzenesulfonyl)ethyl piperidine-3-carboxylate

Drug info:

PubChemData

Smile

CC(C1=NC=NC2=C1C=C(C=C2)C=O)OC(=O)C3CCCNC3

DOS

IR

Vibrations