Geometry & MOs

Info

ID:	423796
PubChem CID:	135120236
Reduced:	ON2C20H26 (1)
Stoich.:	AB2C20D26 (1)
Weight, g/mol:	333.18009
ΔH_f, kcal/mol:	-8.7
Dipole, Da:	4.93
IP(EA), eV:	-8.73(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-amino-3-methylpyrazol-1-yl)-1-[(3R,4R)-3-methoxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CO[C@@H]1CCC[C@@]12CCCN(C2)CC3=CC=NC4=CC=CC=C34

DOS

IR

Vibrations