Geometry & MOs

Info

ID:	242457
PubChem CID:	96100225
Reduced:	O2N6C13H18 (1)
Stoich.:	A2B6C13D18 (1)
Weight, g/mol:	307.128054
ΔH_f, kcal/mol:	-1.49
Dipole, Da:	7.35
IP(EA), eV:	-9.1(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-methyl-1,2-oxazol-3-yl)oxy]-1-[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)C(=O)N2CCO[C@H](C2)C3=NNC(=N3)C

DOS

IR

Vibrations