Geometry & MOs

Info

ID:	321972
PubChem CID:	126667611
Reduced:	FN2O3H11C17 (1)
Stoich.:	AB2C3D11E17 (1)
Weight, g/mol:	357.00145
ΔH_f, kcal/mol:	-77.71
Dipole, Da:	11.02
IP(EA), eV:	-9.19(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aE,6Z,8Z,10Z,12Z,14Z)-4-iodobenzo[12]annulene-2-carbonitrile

Drug info:

PubChemData

Smile

CN1C=C(C2=C(C=C(C=C21)C#N)C3=CC(=C(C=C3)C(=O)O)O)F

DOS

IR

Vibrations