Geometry & MOs

Info

ID:	276273
PubChem CID:	103821888
Reduced:	ON2C8H11 (2)
Stoich.:	AB2C8D11 (2)
Weight, g/mol:	309.205242
ΔH_f, kcal/mol:	-58.72
Dipole, Da:	3.72
IP(EA), eV:	-8.6(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[3-[(6-oxo-1-propylpyridin-3-yl)amino]propyl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCCCNC1=CC2=NC=CN=C2C=C1

DOS

IR

Vibrations