Geometry & MOs

Info

ID:	338686
PubChem CID:	127259697
Reduced:	N3H21C22 (1)
Stoich.:	A3B21C22 (1)
Weight, g/mol:	311.120755
ΔH_f, kcal/mol:	89.1
Dipole, Da:	4.45
IP(EA), eV:	-8.01(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5-dichloro-N-[(2E)-3,7-dimethylocta-2,6-dienyl]-N-methylaniline

Drug info:

PubChemData

Smile

C1=CC(=CC=C1/C=C/C2=CC(=C(C=C2)/C=C/C3=CC=C(C=C3)N)N)N

DOS

IR

Vibrations