Geometry & MOs

Info

ID:	242460
PubChem CID:	96100257
Reduced:	ON3C7H10 (2)
Stoich.:	AB3C7D10 (2)
Weight, g/mol:	333.18009
ΔH_f, kcal/mol:	-8.79
Dipole, Da:	1.67
IP(EA), eV:	-9.39(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-1-[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1=NC(=NN1)[C@H]2CN(CCO2)C(=O)CCCN3C=CC=N3

DOS

IR

Vibrations