Geometry & MOs

Info

ID:	271448
PubChem CID:	103679785
Reduced:	ON3C12H15 (1)
Stoich.:	AB3C12D15 (1)
Weight, g/mol:	330.109483
ΔH_f, kcal/mol:	17.73
Dipole, Da:	7.14
IP(EA), eV:	-8.75(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[3-[(3-chloro-5-nitropyridin-2-yl)amino]propyl]carbamate

Drug info:

PubChemData

Smile

COC1CCCN(C1)C2=CC=CC(=N2)C#N

DOS

IR

Vibrations