Geometry & MOs

Info

ID:	305749
PubChem CID:	124967861
Reduced:	O4N5H23C25 (1)
Stoich.:	A4B5C23D25 (1)
Weight, g/mol:	392.221226
ΔH_f, kcal/mol:	-9.05
Dipole, Da:	3.11
IP(EA), eV:	-8.62(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-(2-methyl-5-propylpyrazol-3-yl)methanone

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)OC2=CC=CC(=N2)[C@@H]3CN(CCO3)C(=O)C4=CN=C(C=C4)N5C=CC=N5

DOS

IR

Vibrations