Geometry & MOs

Info

ID:	29463
PubChem CID:	833989
Reduced:	BrNOH12C13 (1)
Stoich.:	ABCD12E13 (1)
Weight, g/mol:	231.08262
ΔH_f, kcal/mol:	7.3
Dipole, Da:	1.77
IP(EA), eV:	-8.27(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-chloro-6-fluorophenyl)methylamino]-2-methylpropan-1-ol

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CNC2=CC=C(C=C2)O)Br

DOS

IR

Vibrations