Geometry & MOs

Info

ID:	240786
PubChem CID:	93617545
Reduced:	O2F3N4C14H19 (1)
Stoich.:	A2B3C4D14E19 (1)
Weight, g/mol:	343.189592
ΔH_f, kcal/mol:	-219.17
Dipole, Da:	0.98
IP(EA), eV:	-9.0(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,5-dimethylpyrazol-1-yl)-N-[[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]methyl]acetamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1CCN(CC1)C2=NC=CC=N2)OCC(F)(F)F

DOS

IR

Vibrations