Geometry & MOs

Info

ID:	378701
PubChem CID:	134224796
Reduced:	ClFN5C23H25 (1)
Stoich.:	ABC5D23E25 (1)
Weight, g/mol:	210.116841
ΔH_f, kcal/mol:	83.36
Dipole, Da:	3.39
IP(EA), eV:	-8.03(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-fluoro-2-(2-nitrosoethyl)phenyl]propan-2-amine

Drug info:

PubChemData

Smile

CCC(C1=CC(=C(C=C1)Cl)F)N2C=CC(=CC2=C)C(=NC(=NC)/C=C\N)/C=C\N=C

DOS

IR

Vibrations