Geometry & MOs

Info

ID:	275103
PubChem CID:	103813828
Reduced:	ON5C13H23 (1)
Stoich.:	AB5C13D23 (1)
Weight, g/mol:	223.14331
ΔH_f, kcal/mol:	-25.06
Dipole, Da:	2.9
IP(EA), eV:	-9.51(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCN1C=NN=C1CNC(=O)C2CCCCCC2N

DOS

IR

Vibrations