Geometry & MOs

Info

ID:	275097
PubChem CID:	103813782
Reduced:	ON5C11H19 (1)
Stoich.:	AB5C11D19 (1)
Weight, g/mol:	237.15896
ΔH_f, kcal/mol:	-17.29
Dipole, Da:	3.76
IP(EA), eV:	-9.56(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1C=NN=C1CNC(=O)C2CCC(C2)N

DOS

IR

Vibrations