Geometry & MOs

Info

ID:	291024
PubChem CID:	111677799
Reduced:	FIO2N4C18H28 (1)
Stoich.:	ABC2D4E18F28 (1)
Weight, g/mol:	350.211804
ΔH_f, kcal/mol:	-110.98
Dipole, Da:	5.55
IP(EA), eV:	-9.02(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-3-[2-(4-fluorophenoxy)propyl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine

Drug info:

PubChemData

Smile

CCNC(=NCC(=O)N1CCCC1)NCC(C)OC2=CC=C(C=C2)F.I

DOS

IR

Vibrations