Geometry & MOs

Info

ID:	262373
PubChem CID:	103288921
Reduced:	N2O2F4H10C13 (1)
Stoich.:	A2B2C4D10E13 (1)
Weight, g/mol:	293.064113
ΔH_f, kcal/mol:	-208.1
Dipole, Da:	3.02
IP(EA), eV:	-8.47(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(2-chlorophenyl)methylsulfanyl]-4-methoxyphenyl]methanamine

Drug info:

PubChemData

Smile

C1=CC(=O)N(C=C1N)CCOC2=C(C(=CC(=C2F)F)F)F

DOS

IR

Vibrations