Geometry & MOs

Info

ID:	282947
PubChem CID:	103947694
Reduced:	BrNOC12H18 (1)
Stoich.:	ABCD12E18 (1)
Weight, g/mol:	283.082013
ΔH_f, kcal/mol:	-47.28
Dipole, Da:	1.95
IP(EA), eV:	-9.3(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-(difluoromethoxy)anilino]methyl]-4-fluorophenol

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(C)N[C@H](C)CO)Br

DOS

IR

Vibrations