Geometry & MOs

Info

ID:	322629
PubChem CID:	126670692
Reduced:	O2N5C22H25 (1)
Stoich.:	A2B5C22D25 (1)
Weight, g/mol:	275.98113
ΔH_f, kcal/mol:	5.73
Dipole, Da:	6.6
IP(EA), eV:	-9.07(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-fluoro-2-(3-iodocyclobutyl)benzene

Drug info:

PubChemData

Smile

C[C@@H]1C[C@H](N[C@@H]1C)C(=O)CN2C3=C(C=C(C=C3)C4=CN=C(N=C4)C)C(=N2)C(=O)C

DOS

IR

Vibrations