Geometry & MOs

Info

ID:	48372
PubChem CID:	10541528
Reduced:	N8C13H22 (1)
Stoich.:	A8B13C22 (1)
Weight, g/mol:	290.203451
ΔH_f, kcal/mol:	114.24
Dipole, Da:	3.98
IP(EA), eV:	-7.78(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-4-[(2E,6Z)-6-(4-methylphenyl)octa-2,6-dien-3-yl]benzene

Drug info:

PubChemData

Smile

CC(=N/N=C\1/C(=C(C(=N1)N)N=CN(C)C)N=CN(C)C)C

DOS

IR

Vibrations