Geometry & MOs

Info

ID:	414413
PubChem CID:	135087371
Reduced:	O2N3C18H23 (1)
Stoich.:	A2B3C18D23 (1)
Weight, g/mol:	336.128549
ΔH_f, kcal/mol:	22.12
Dipole, Da:	4.86
IP(EA), eV:	-8.54(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C[C@@H]2CN(C[C@H]1COC2)C(=O)C3=CN(C4=CC=CC=C43)C

DOS

IR

Vibrations