Geometry & MOs

Info

ID:	322358
PubChem CID:	126669906
Reduced:	ClON6C18H25 (1)
Stoich.:	ABC6D18E25 (1)
Weight, g/mol:	252.169859
ΔH_f, kcal/mol:	13.22
Dipole, Da:	3.02
IP(EA), eV:	-8.44(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]pyrrolidin-3-ol

Drug info:

PubChemData

Smile

C1CN(CCC1N2CC(C[C@@H]2CC3=CC=C(C=C3)Cl)O)C4=NNC(=N4)N

DOS

IR

Vibrations