Geometry & MOs

Info

ID:	291034
PubChem CID:	111677809
Reduced:	FIO2N4C24H32 (1)
Stoich.:	ABC2D4E24F32 (1)
Weight, g/mol:	426.243104
ΔH_f, kcal/mol:	-103.87
Dipole, Da:	5.88
IP(EA), eV:	-8.67(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-3-[2-(4-fluorophenoxy)propyl]-2-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]guanidine

Drug info:

PubChemData

Smile

CCNC(=NCC1=CC=CC=C1CN2CCCC2=O)NCC(C)OC3=CC=C(C=C3)F.I

DOS

IR

Vibrations