Geometry & MOs

Info

ID:	419296
PubChem CID:	135107908
Reduced:	O2N5C20H25 (1)
Stoich.:	A2B5C20D25 (1)
Weight, g/mol:	324.098918
ΔH_f, kcal/mol:	-1.69
Dipole, Da:	8.73
IP(EA), eV:	-9.51(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2(CCN(CC2)C(=O)CC3=CC=C(C=C3)N4C(=NN=N4)C)OCC1

DOS

IR

Vibrations