Geometry & MOs

Info

ID:	272095
PubChem CID:	103723724
Reduced:	SO2N3C17H29 (1)
Stoich.:	AB2C3D17E29 (1)
Weight, g/mol:	323.232125
ΔH_f, kcal/mol:	-102.99
Dipole, Da:	1.89
IP(EA), eV:	-9.26(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[2-[2-(1H-1,2,4-triazol-5-yl)ethylamino]propyl]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(CC1CCCN1C(=O)OC(C)(C)C)NC(C)C2=NC=CS2

DOS

IR

Vibrations