Geometry & MOs

Info

ID:	291001
PubChem CID:	111677771
Reduced:	FIO2N4C23H30 (1)
Stoich.:	ABC2D4E23F30 (1)
Weight, g/mol:	412.227454
ΔH_f, kcal/mol:	-76.23
Dipole, Da:	4.57
IP(EA), eV:	-9.01(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(CNC(=NC)NCC1=CC=C(C=C1)CN2CCCC2=O)OC3=CC=C(C=C3)F.I

DOS

IR

Vibrations