Geometry & MOs

Info

ID:	421939
PubChem CID:	135116875
Reduced:	SN4C15H22 (1)
Stoich.:	AB4C15D22 (1)
Weight, g/mol:	328.178693
ΔH_f, kcal/mol:	23.23
Dipole, Da:	3.63
IP(EA), eV:	-8.93(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC1=CN=C(N=C1NCC2=C(N=C(S2)C)CC)C

DOS

IR

Vibrations