Geometry & MOs

Info

ID:	421891
PubChem CID:	135116783
Reduced:	NO3C24H29 (1)
Stoich.:	AB3C24D29 (1)
Weight, g/mol:	340.134697
ΔH_f, kcal/mol:	-106.8
Dipole, Da:	4.82
IP(EA), eV:	-9.09(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C[C@H]([C@@]2(C1)CCCN(C2)C(=O)C3=CC(=CC=C3)OCCC4=CC=CC=C4)O

DOS

IR

Vibrations