Geometry & MOs

Info

ID:	386761
PubChem CID:	134982823
Reduced:	NOH8C9 (2)
Stoich.:	ABC8D9 (2)
Weight, g/mol:	294.140851
ΔH_f, kcal/mol:	87.84
Dipole, Da:	9.18
IP(EA), eV:	-9.06(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-3-cyclohepta-2,4,6-trien-1-ylideneindene

Drug info:

PubChemData

Smile

CC(C)C1=C/C(=C(/C#N)\C2=CC=C(C=C2)[N+](=O)[O-])/C=CC=C1

DOS

IR

Vibrations