Geometry & MOs

Info

ID:	28097
PubChem CID:	825551
Reduced:	ClO2N5H6C9 (1)
Stoich.:	AB2C5D6E9 (1)
Weight, g/mol:	284.078348
ΔH_f, kcal/mol:	109.16
Dipole, Da:	6.85
IP(EA), eV:	-10.24(-2.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-fluorophenyl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C=NN2C=NN=C2)[N+](=O)[O-])Cl

DOS

IR

Vibrations