Geometry & MOs

Info

ID:	276281
PubChem CID:	103821921
Reduced:	O2N3C17H33 (1)
Stoich.:	A2B3C17D33 (1)
Weight, g/mol:	318.180424
ΔH_f, kcal/mol:	-130.97
Dipole, Da:	3.54
IP(EA), eV:	-8.76(1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[3-[[2-(1,2,4-triazol-1-yl)pyridin-3-yl]amino]propyl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCCCNCC1CC2CCC(C1)N2C

DOS

IR

Vibrations