Geometry & MOs

Info

ID:	293915
PubChem CID:	117415965
Reduced:	O2C17H28 (1)
Stoich.:	A2B17C28 (1)
Weight, g/mol:	262.91488
ΔH_f, kcal/mol:	-119.79
Dipole, Da:	2.93
IP(EA), eV:	-8.74(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-bromo-3-chloro-2-fluoro-4-(isocyanatomethyl)benzene

Drug info:

PubChemData

Smile

CC(C)(C)CC(C)(C)C1=CC(=C(C=C1)O)CCCO

DOS

IR

Vibrations