Geometry & MOs

Info

ID:	294828
PubChem CID:	117499002
Reduced:	BrN3O4H8C10 (1)
Stoich.:	AB3C4D8E10 (1)
Weight, g/mol:	312.99253
ΔH_f, kcal/mol:	-33.97
Dipole, Da:	5.56
IP(EA), eV:	-9.0(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-6-[1-hydroxy-2-(methylamino)ethyl]-4-(trifluoromethyl)phenol

Drug info:

PubChemData

Smile

C1OC2=C/C(=C/3\NOC(=N3)CN)/C(=O)C(=C2O1)Br

DOS

IR

Vibrations