Geometry & MOs

Info

ID:	58525
PubChem CID:	24702242
Reduced:	ClSN2O2C13H13 (1)
Stoich.:	ABC2D2E13F13 (1)
Weight, g/mol:	250.159375
ΔH_f, kcal/mol:	-3.88
Dipole, Da:	4.38
IP(EA), eV:	-8.7(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(4-fluorophenyl)piperazin-1-yl]propanimidamide

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C(=N)N)OCC2=CC=C(S2)Cl

DOS

IR

Vibrations