Geometry & MOs

Info

ID:	422386
PubChem CID:	135117737
Reduced:	FO2N4C13H17 (1)
Stoich.:	AB2C4D13E17 (1)
Weight, g/mol:	304.153541
ΔH_f, kcal/mol:	-49.2
Dipole, Da:	3.65
IP(EA), eV:	-8.96(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)CCCNC2=NC=C(C(=N2)OC)F

DOS

IR

Vibrations