Geometry & MOs

Info

ID:	292802
PubChem CID:	117359060
Reduced:	BrOC11H15 (1)
Stoich.:	ABC11D15 (1)
Weight, g/mol:	243.061946
ΔH_f, kcal/mol:	-47.59
Dipole, Da:	4.11
IP(EA), eV:	-9.31(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[2,3-difluoro-5-(fluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1)Br)C(C)CO)C

DOS

IR

Vibrations