Geometry & MOs

Info

ID:	264603
PubChem CID:	103475030
Reduced:	BrNO2F4C13H16 (1)
Stoich.:	ABC2D4E13F16 (1)
Weight, g/mol:	361.01007
ΔH_f, kcal/mol:	-270.59
Dipole, Da:	2.77
IP(EA), eV:	-9.14(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-bromo-4-fluorophenyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)Br)CC(COCC(C(F)F)(F)F)N

DOS

IR

Vibrations