Geometry & MOs

Info

ID:	420120
PubChem CID:	135111253
Reduced:	FON3C17H20 (1)
Stoich.:	ABC3D17E20 (1)
Weight, g/mol:	374.071212
ΔH_f, kcal/mol:	-39.44
Dipole, Da:	2.21
IP(EA), eV:	-9.11(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(1,1,2,2-tetrafluoroethoxy)phenyl]-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)CN2C[C@H]([C@@H](C2)O)CC3=NC=CN=C3)F

DOS

IR

Vibrations