Geometry & MOs

Info

ID:	425169
PubChem CID:	135125396
Reduced:	O3N4C21H22 (1)
Stoich.:	A3B4C21D22 (1)
Weight, g/mol:	243.98991
ΔH_f, kcal/mol:	-63.64
Dipole, Da:	9.41
IP(EA), eV:	-8.66(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-bromo-2-fluorophenyl)but-3-en-2-ol

Drug info:

PubChemData

Smile

CN1C=NC2=C1C=CC(=C2)C3=CC4=C(C=C3)OC5(CCN(CC5)C(=O)N)OC4

DOS

IR

Vibrations