Geometry & MOs

Info

ID:	393131
PubChem CID:	135019479
Reduced:	SN2O2C18H18 (1)
Stoich.:	AB2C2D18E18 (1)
Weight, g/mol:	350.195405
ΔH_f, kcal/mol:	-46.52
Dipole, Da:	2.96
IP(EA), eV:	-9.42(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[2-(3-nitropyridin-4-yl)ethylamino]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

C1=CC=NC(=C1)CCCC2=CC=C(C=C2)CC3C(=O)NC(=O)S3

DOS

IR

Vibrations