Geometry & MOs

Info

ID:	286583
PubChem CID:	104179089
Reduced:	BrO2N3H10C11 (1)
Stoich.:	AB2C3D10E11 (1)
Weight, g/mol:	330.2341
ΔH_f, kcal/mol:	-2.95
Dipole, Da:	4.75
IP(EA), eV:	-9.25(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-[1-(3-ethylsulfanylpropylamino)ethyl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=CN=C1Br)NC(=O)C2=C(C=NO2)C

DOS

IR

Vibrations