Geometry & MOs

Info

ID:	291366
PubChem CID:	112092130
Reduced:	IO3N6C21H29 (1)
Stoich.:	AB3C6D21E29 (1)
Weight, g/mol:	331.151847
ΔH_f, kcal/mol:	-9.26
Dipole, Da:	6.43
IP(EA), eV:	-8.3(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-ethylphenyl)-2-[[4-fluoro-2-(methylsulfanylmethyl)phenyl]methyl]guanidine

Drug info:

PubChemData

Smile

CCNC(=NCCC1=NC(=NN1)C2=CC=CO2)NC(C)C3=C(C=CC(=C3)OC)OC.I

DOS

IR

Vibrations