Geometry & MOs

Info

ID:	349025
PubChem CID:	127274751
Reduced:	O2N3C24H33 (1)
Stoich.:	A2B3C24D33 (1)
Weight, g/mol:	324.150764
ΔH_f, kcal/mol:	-85.29
Dipole, Da:	3.67
IP(EA), eV:	-8.52(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-2-(oxan-2-ylmethylsulfanyl)ethanone

Drug info:

PubChemData

Smile

C1CCC2C(C1)CC(N2C(=O)C3=CC=CC=C3)C(=O)NC4CCN5C4CCCC5

DOS

IR

Vibrations