Geometry & MOs

Info

ID:	241019
PubChem CID:	93621203
Reduced:	O3N5C17H23 (1)
Stoich.:	A3B5C17D23 (1)
Weight, g/mol:	306.115047
ΔH_f, kcal/mol:	-79.45
Dipole, Da:	3.33
IP(EA), eV:	-8.29(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methanone

Drug info:

PubChemData

Smile

C[C@H]1CN(C[C@@H](O1)C)C2=NC=C(C=C2)NC(=O)C3=NN(C(=O)CC3)C

DOS

IR

Vibrations