Geometry & MOs

Info

ID:	242441
PubChem CID:	96100062
Reduced:	O3N5C14H17 (1)
Stoich.:	A3B5C14D17 (1)
Weight, g/mol:	306.115047
ΔH_f, kcal/mol:	-18.38
Dipole, Da:	4.61
IP(EA), eV:	-9.69(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-2-thiophen-2-ylpropan-1-one

Drug info:

PubChemData

Smile

C1C[C@@H](N(C1)C(=O)C2=NNC(=O)CC2)C3=NOC(=N3)C4CC4

DOS

IR

Vibrations