Geometry & MOs

Info

ID:	327773
PubChem CID:	126691038
Reduced:	NH23C34 (2)
Stoich.:	AB23C34 (2)
Weight, g/mol:	293.190341
ΔH_f, kcal/mol:	266.34
Dipole, Da:	2.09
IP(EA), eV:	-7.94(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[2-(fluoromethoxy)-4-pyrrolidin-1-ylphenyl]methyl]piperazine

Drug info:

Smile

C1CC2=C(C=CC=C2C3=CC=CC=C31)C4=CC=C(C=C4)N(C5=CC=C(C=C5)C6=CC7=C(C=C6)N(C8=CC=CC=C87)C9=CC=C(C=C9)C1=CC=CC=C1)C1=CC2=C(C=C1)C1=CC=CC=C1C1=CC=CC=C12

DOS

IR

Vibrations