Geometry & MOs

Info

ID:	420665
PubChem CID:	135114631
Reduced:	O3N4C20H24 (1)
Stoich.:	A3B4C20D24 (1)
Weight, g/mol:	315.133139
ΔH_f, kcal/mol:	-21.74
Dipole, Da:	5.58
IP(EA), eV:	-9.4(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3R,4R)-3-hydroxy-1-(2H-triazole-4-carbonyl)piperidin-4-yl]benzamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=C(C=C(O1)C(=O)N)CN(C)CC2=NC(=NO2)C3=CC=CC=C3

DOS

IR

Vibrations