Geometry & MOs

Info

ID:	126028
PubChem CID:	50949003
Reduced:	ON5C19H33 (1)
Stoich.:	AB5C19D33 (1)
Weight, g/mol:	369.241627
ΔH_f, kcal/mol:	-29.8
Dipole, Da:	5.19
IP(EA), eV:	-8.14(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S,4R,6S)-2-(5-methyl-1-propylpyrazol-4-yl)-6-(2-phenylethyl)oxan-4-yl]acetamide

Drug info:

PubChemData

Smile

CCN(CC)[C@@H]1CCCC[C@H]1NC(=O)C2=NN3CCCN(CC3=C2)C

DOS

IR

Vibrations