Geometry & MOs

Info

ID:	373117
PubChem CID:	131310190
Reduced:	NOBr2C12H15 (1)
Stoich.:	ABC2D12E15 (1)
Weight, g/mol:	239.014934
ΔH_f, kcal/mol:	-37.05
Dipole, Da:	1.52
IP(EA), eV:	-9.33(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-2-cyclopropyloxy-5-fluorobenzoyl cyanide

Drug info:

PubChemData

Smile

C1CCC(C1)[C@H](C2=C(C=C(C=C2Br)Br)O)N

DOS

IR

Vibrations