Geometry & MOs

Info

ID:	422468
PubChem CID:	135117882
Reduced:	NO2C9H12 (2)
Stoich.:	AB2C9D12 (2)
Weight, g/mol:	373.126026
ΔH_f, kcal/mol:	-141.97
Dipole, Da:	4.78
IP(EA), eV:	-9.2(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[(3R,4R)-1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-4-methoxypyrrolidin-3-yl]methyl]-3-methyl-1,2-oxazole

Drug info:

PubChemData

Smile

CC(=O)N1CCOC(C1)CNC(=O)C2=CC(=C(C=C2)OC)CC=C

DOS

IR

Vibrations