Geometry & MOs

Info

ID:	291171
PubChem CID:	111678084
Reduced:	FON5C22H26 (1)
Stoich.:	ABC5D22E26 (1)
Weight, g/mol:	409.227789
ΔH_f, kcal/mol:	18.75
Dipole, Da:	3.5
IP(EA), eV:	-8.98(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-3-[2-(3-fluorophenoxy)propyl]-2-[[4-(imidazol-1-ylmethyl)phenyl]methyl]guanidine

Drug info:

PubChemData

Smile

CC(CNC(=NC)NCC1=CN(N=C1)CC2=CC=CC=C2)OC3=CC=C(C=C3)F

DOS

IR

Vibrations