Geometry & MOs

Info

ID:	322306
PubChem CID:	126669698
Reduced:	ClNO2C15H20 (1)
Stoich.:	ABC2D15E20 (1)
Weight, g/mol:	238.190595
ΔH_f, kcal/mol:	-81.63
Dipole, Da:	5.57
IP(EA), eV:	-9.26(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-pyrrolidin-1-ylpiperidin-1-yl)-2,3-dihydro-1H-1,2,4-triazol-3-amine

Drug info:

PubChemData

Smile

CC(C)(C)O[C@@H]1C[C@@H](NC1)C(=O)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations