Geometry & MOs

Info

ID:	422693
PubChem CID:	135118258
Reduced:	O3N4C18H20 (1)
Stoich.:	A3B4C18D20 (1)
Weight, g/mol:	367.189592
ΔH_f, kcal/mol:	-59.23
Dipole, Da:	1.83
IP(EA), eV:	-8.91(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[(3R,4R)-3-methoxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]methyl]-3-(4-methylphenyl)-1,2-oxazole

Drug info:

PubChemData

Smile

CC1=NC(=NC=C1C(=O)C)N2CCN(C(=O)C2)C3=CC(=CC=C3)OC

DOS

IR

Vibrations