Geometry & MOs

Info

ID:	414758
PubChem CID:	135087720
Reduced:	O3N5C22H29 (1)
Stoich.:	A3B5C22D29 (1)
Weight, g/mol:	383.114456
ΔH_f, kcal/mol:	-73.06
Dipole, Da:	4.09
IP(EA), eV:	-9.11(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-hydroxy-3-phenylpyrrolidin-1-yl)-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]methanone

Drug info:

PubChemData

Smile

C1CCN2C(C1)CCNC(=O)CC3=CC=C(C=C3)OCCN4C=C(CCC2=O)N=N4

DOS

IR

Vibrations