Geometry & MOs

Info

ID:	322517
PubChem CID:	126670344
Reduced:	ON2H16C19 (1)
Stoich.:	AB2C16D19 (1)
Weight, g/mol:	230.01064
ΔH_f, kcal/mol:	35.03
Dipole, Da:	4.72
IP(EA), eV:	-8.27(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-bromo-4-(2-fluorobutan-2-yl)benzene

Drug info:

PubChemData

Smile

CC1=C(N=CC=C1)N2C3=CC=CC=C3C4=C2C(=C(C=C4)O)C

DOS

IR

Vibrations