Geometry & MOs

Info

ID:	313271
PubChem CID:	126613204
Reduced:	SN2F3O3C15H23 (1)
Stoich.:	AB2C3D3E15F23 (1)
Weight, g/mol:	173.06522
ΔH_f, kcal/mol:	-314.63
Dipole, Da:	6.71
IP(EA), eV:	-9.33(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

difluoro-(4-methoxyphenyl)methanamine

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=O)N[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3SCC(F)(F)F

DOS

IR

Vibrations