Geometry & MOs

Info

ID:	424614
PubChem CID:	135123330
Reduced:	BrF2O2N3H22C28 (1)
Stoich.:	AB2C2D3E22F28 (1)
Weight, g/mol:	147.026248
ΔH_f, kcal/mol:	-42.93
Dipole, Da:	1.74
IP(EA), eV:	-8.73(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1,1-difluoro-3-hydroxypropan-2-yl]azanium;chloride

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CN2C3=C(C=C(C=C3Br)C4=CC=NN4C5=C(C=C(C=C5)F)F)C6(C2=O)CCC6

DOS

IR

Vibrations