Geometry & MOs

Info

ID:	189509
PubChem CID:	77866976
Reduced:	F2O2N7C26H31 (1)
Stoich.:	A2B2C7D26E31 (1)
Weight, g/mol:	309.115205
ΔH_f, kcal/mol:	-64.64
Dipole, Da:	5.6
IP(EA), eV:	-8.55(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,4-difluorophenyl)-1-(1,1,1-trifluoro-3-methoxypropan-2-yl)pyrrolidine

Drug info:

PubChemData

Smile

CCOC1=NN(C(=C1C)NC(=O)NC2CN(CC2C3=CC(=CC(=C3)F)F)C4CCNN4)C5=CC=CC=C5

DOS

IR

Vibrations