Geometry & MOs

Info

ID:	257885
PubChem CID:	103149007
Reduced:	BrF2O2N3C11H18 (1)
Stoich.:	AB2C2D3E11F18 (1)
Weight, g/mol:	229.127821
ΔH_f, kcal/mol:	-156.53
Dipole, Da:	5.65
IP(EA), eV:	-8.63(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,2-difluoroethoxy)-1-(2-methylphenyl)propan-1-amine

Drug info:

PubChemData

Smile

COCCN1C(=C(C=N1)Br)C(CCOCC(F)F)N

DOS

IR

Vibrations