Geometry & MOs

Info

ID:	139467
PubChem CID:	52536808
Reduced:	ON4C15H16 (1)
Stoich.:	AB4C15D16 (1)
Weight, g/mol:	369.216475
ΔH_f, kcal/mol:	59.05
Dipole, Da:	4.01
IP(EA), eV:	-9.51(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-acetamido-2-cyclopentyl-N-methyl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide

Drug info:

PubChemData

Smile

CCC1=NN=C(O1)[C@H]2CC3=CC=CC=C3CN2CC#N

DOS

IR

Vibrations