Geometry & MOs

Info

ID:	384594
PubChem CID:	134977276
Reduced:	NOCl3C10H14 (1)
Stoich.:	ABC3D10E14 (1)
Weight, g/mol:	208.125201
ΔH_f, kcal/mol:	-21.2
Dipole, Da:	3.89
IP(EA), eV:	-10.08(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7E)-3-methyl-7-(4-methylcyclohepta-2,4,6-trien-1-ylidene)cyclohepta-1,3,5-triene

Drug info:

PubChemData

Smile

CC(C)CC=C=CCOC(=N)C(Cl)(Cl)Cl

DOS

IR

Vibrations