Geometry & MOs

Info

ID:	183600
PubChem CID:	77044362
Reduced:	ON6C13H18 (1)
Stoich.:	AB6C13D18 (1)
Weight, g/mol:	286.154209
ΔH_f, kcal/mol:	35.99
Dipole, Da:	4.24
IP(EA), eV:	-9.11(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-phenyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrazolidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)C=CC(=O)NCCC2=NC=NN2

DOS

IR

Vibrations