Geometry & MOs

Info

ID:	319322
PubChem CID:	126655648
Reduced:	FO4N7C29H30 (1)
Stoich.:	AB4C7D29E30 (1)
Weight, g/mol:	197.116427
ΔH_f, kcal/mol:	-81.08
Dipole, Da:	4.34
IP(EA), eV:	-8.61(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4S)-4-methoxy-3-methyl-1-(1H-pyrazol-5-yl)pyrrolidin-3-ol

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CC2=C(C1=O)C(=CC(=N2)C3=C(C=CC=C3F)C#N)N4C=CC(=N4)N5C[C@H]6C(C5)OCCN6C

DOS

IR

Vibrations