Geometry & MOs

Info

ID:	171389
PubChem CID:	75371568
Reduced:	ClON2C16H17 (1)
Stoich.:	ABC2D16E17 (1)
Weight, g/mol:	449.0888
ΔH_f, kcal/mol:	14.74
Dipole, Da:	3.64
IP(EA), eV:	-9.04(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-2-methyl-3-[(4-methylphenyl)methyl]guanidine;hydroiodide

Drug info:

PubChemData

Smile

C1C(ON=C1C2=CC=C(C=C2)C3=CC=CC=C3)CN.Cl

DOS

IR

Vibrations