Geometry & MOs

Info

ID:	242477
PubChem CID:	96100313
Reduced:	O3N5C14H19 (1)
Stoich.:	A3B5C14D19 (1)
Weight, g/mol:	335.19574
ΔH_f, kcal/mol:	-40.18
Dipole, Da:	1.75
IP(EA), eV:	-9.3(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-1-cyclopentyl-2-[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-2-oxoethyl]acetamide

Drug info:

PubChemData

Smile

CCC1=NOC(=C1C(=O)N2CCO[C@H](C2)C3=NNC(=N3)C)C

DOS

IR

Vibrations