Geometry & MOs

Info

ID:	291033
PubChem CID:	111677808
Reduced:	FO3N4C21H27 (1)
Stoich.:	AB3C4D21E27 (1)
Weight, g/mol:	554.1554
ΔH_f, kcal/mol:	-125.69
Dipole, Da:	3.77
IP(EA), eV:	-8.9(-0.19)
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;hydroiodide

Drug info:

PubChemData

Smile

CCNC(=NCC1=CC=C(C=C1)NC(=O)OC)NCC(C)OC2=CC=C(C=C2)F

DOS

IR

Vibrations