Geometry & MOs

Info

ID:	372047
PubChem CID:	131290307
Reduced:	BrClNO3H5C7 (1)
Stoich.:	ABCD3E5F7 (1)
Weight, g/mol:	225.03567
ΔH_f, kcal/mol:	-27.55
Dipole, Da:	6.92
IP(EA), eV:	-10.09(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(4-chloro-3-fluoro-5-hydroxyphenyl)cyclopropyl]acetonitrile

Drug info:

PubChemData

Smile

COC1=CC(=C(C(=C1)Br)[N+](=O)[O-])Cl

DOS

IR

Vibrations