Geometry & MOs

Info

ID:	126261
PubChem CID:	50957940
Reduced:	ClN2O2C19H19 (1)
Stoich.:	AB2C2D19E19 (1)
Weight, g/mol:	374.147786
ΔH_f, kcal/mol:	-6.56
Dipole, Da:	4.63
IP(EA), eV:	-9.35(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S,4S)-4-(1,3-benzodioxol-5-yl)-3-hydroxypiperidin-1-yl]-[4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]methanone

Drug info:

PubChemData

Smile

CC(C)CN(CC#CC1=CC=CC=C1)C(=O)C2=CNC(=O)C(=C2)Cl

DOS

IR

Vibrations