Geometry & MOs

Info

ID:	327651
PubChem CID:	126690639
Reduced:	ON2C23H30 (1)
Stoich.:	AB2C23D30 (1)
Weight, g/mol:	326.22458
ΔH_f, kcal/mol:	58.49
Dipole, Da:	1.48
IP(EA), eV:	-8.19(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-tert-butyl-2-[3-(4-methoxyphenyl)butoxy]-4-methylbenzene

Drug info:

PubChemData

Smile

CC(C)C1=CC\2=C(C=C1)OCC3=C(/C2=C\CCN4CCCC4)C=CCN3

DOS

IR

Vibrations