Geometry & MOs

Info

ID:	310301
PubChem CID:	126578335
Reduced:	OCl3N4C25H31 (1)
Stoich.:	AB3C4D25E31 (1)
Weight, g/mol:	388.370516
ΔH_f, kcal/mol:	-43.57
Dipole, Da:	5.04
IP(EA), eV:	-8.18(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-(4,4-dimethylpentoxy)pentyl]-3-(7-methyloctyl)benzene

Drug info:

PubChemData

Smile

CC(C1=C(C=C(C=C1)Cl)Cl)NC2=C(C=CC(=C2)N3CCN(CC3)C4CCC[C@@H](C4)C(=O)N)Cl

DOS

IR

Vibrations