Geometry & MOs

Info

ID:	423405
PubChem CID:	135119441
Reduced:	NO3C19H29 (1)
Stoich.:	AB3C19D29 (1)
Weight, g/mol:	372.190989
ΔH_f, kcal/mol:	-144.44
Dipole, Da:	6.0
IP(EA), eV:	-9.46(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide

Drug info:

PubChemData

Smile

CCC[C@@]1(CN(CC[C@@H]1O)CCCCC2=CC=CC=C2)C(=O)O

DOS

IR

Vibrations