Geometry & MOs

Info

ID:	419664
PubChem CID:	135108679
Reduced:	ON4C18H22 (1)
Stoich.:	AB4C18D22 (1)
Weight, g/mol:	431.161184
ΔH_f, kcal/mol:	69.12
Dipole, Da:	5.44
IP(EA), eV:	-8.33(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(2-chlorobenzoyl)piperidin-4-yl]-[(3S,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=NON=C1CN2CCC3=C(C2C(C)C)NC4=CC=CC=C34

DOS

IR

Vibrations