Geometry & MOs

Info

ID:	288522
PubChem CID:	104318538
Reduced:	BrN2O3C8H11 (1)
Stoich.:	AB2C3D8E11 (1)
Weight, g/mol:	202.080536
ΔH_f, kcal/mol:	-132.25
Dipole, Da:	4.7
IP(EA), eV:	-9.73(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3,4-difluorophenoxy)butan-2-ol

Drug info:

PubChemData

Smile

CC(CCN1C=C(C(=O)NC1=O)Br)O

DOS

IR

Vibrations