Geometry & MOs

Info

ID:	416565
PubChem CID:	135089687
Reduced:	ON4C21H28 (1)
Stoich.:	AB4C21D28 (1)
Weight, g/mol:	316.153541
ΔH_f, kcal/mol:	-9.82
Dipole, Da:	6.46
IP(EA), eV:	-8.9(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCNC(=O)C1=CN=C(C=C1)NC2CCN(CC2)CCC3=CC=CC=C3

DOS

IR

Vibrations