Geometry & MOs

Info

ID:	291047
PubChem CID:	111677823
Reduced:	FION5C23H29 (1)
Stoich.:	ABCD5E23F29 (1)
Weight, g/mol:	409.227789
ΔH_f, kcal/mol:	-1.76
Dipole, Da:	6.48
IP(EA), eV:	-9.11(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCNC(=NCC1=CC=C(C=C1)CN2C=CN=C2)NCC(C)OC3=CC=C(C=C3)F.I

DOS

IR

Vibrations