Geometry & MOs

Info

ID:	28108
PubChem CID:	825595
Reduced:	ON3C7H9 (2)
Stoich.:	AB3C7D9 (2)
Weight, g/mol:	302.08777
ΔH_f, kcal/mol:	66.28
Dipole, Da:	6.39
IP(EA), eV:	-9.27(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(naphthalen-1-ylmethylideneamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carbonitrile

Drug info:

PubChemData

Smile

C1C2(CN3CN1CN(C2)C3)C(=NN)C4=CC=C(C=C4)[N+](=O)[O-]

DOS

IR

Vibrations