Geometry & MOs

Info

ID:	416186
PubChem CID:	135089195
Reduced:	ClFON4C18H22 (1)
Stoich.:	ABCD4E18F22 (1)
Weight, g/mol:	323.184506
ΔH_f, kcal/mol:	-42.22
Dipole, Da:	4.45
IP(EA), eV:	-9.13(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCC1CCN2C=CC=N2)CC(=O)NC3=C(C=C(C=C3)Cl)F

DOS

IR

Vibrations