Geometry & MOs

Info

ID:	417516
PubChem CID:	135098058
Reduced:	N2O5C20H24 (1)
Stoich.:	A2B5C20D24 (1)
Weight, g/mol:	282.169191
ΔH_f, kcal/mol:	-141.66
Dipole, Da:	6.95
IP(EA), eV:	-9.4(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-3-hydroxy-4-propyl-1-[2-(1,2,4-triazol-4-yl)ethyl]piperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C[C@@H]2CN(C[C@@H]2OC)C(=O)C3=C(OC4=C3C(=O)CCC4)C

DOS

IR

Vibrations