Geometry & MOs

Info

ID:	414983
PubChem CID:	135087963
Reduced:	ClN3O3C21H28 (1)
Stoich.:	AB3C3D21E28 (1)
Weight, g/mol:	343.189592
ΔH_f, kcal/mol:	-77.15
Dipole, Da:	6.32
IP(EA), eV:	-9.21(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C1CCCN(C1)C(=O)C2=C(ON=C2NCCOC)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations