Geometry & MOs

Info

ID:	83742
PubChem CID:	49860799
Reduced:	ClO2F3N5C14H19 (1)
Stoich.:	AB2C3D5E14F19 (1)
Weight, g/mol:	385.224453
ΔH_f, kcal/mol:	-174.48
Dipole, Da:	4.17
IP(EA), eV:	-9.62(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1E)-1-[amino-[3-(4-tert-butylphenoxy)propoxyamino]methylidene]-2-propan-2-ylguanidine;hydrochloride

Drug info:

PubChemData

Smile

CC1(N=C(N=C(N1OCCCOC2=C(C(=CC(=C2)F)F)F)N)N)C.Cl

DOS

IR

Vibrations