Geometry & MOs

Info

ID:	306460
PubChem CID:	125011797
Reduced:	N2F3O3C21H21 (1)
Stoich.:	A2B3C3D21E21 (1)
Weight, g/mol:	301.226646
ΔH_f, kcal/mol:	-215.85
Dipole, Da:	3.54
IP(EA), eV:	-9.24(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-butyl-3-methyl-4-[[(3S)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methyl]pyrazole

Drug info:

PubChemData

Smile

C1C[C@](CN(C1)C(=O)C2=C(C=C(C=C2)F)F)(CC(=O)N)COC3=CC=C(C=C3)F

DOS

IR

Vibrations