Geometry & MOs

Info

ID:	242462
PubChem CID:	96100260
Reduced:	O3N5C16H23 (1)
Stoich.:	A3B5C16D23 (1)
Weight, g/mol:	333.18009
ΔH_f, kcal/mol:	-53.17
Dipole, Da:	2.9
IP(EA), eV:	-9.36(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)C[C@@H](C)C(=O)N2CCO[C@H](C2)C3=NNC(=N3)C

DOS

IR

Vibrations