Geometry & MOs

Info

ID:	146855
PubChem CID:	53761463
Reduced:	ON2C30H48 (1)
Stoich.:	AB2C30D48 (1)
Weight, g/mol:	520.464417
ΔH_f, kcal/mol:	-69.02
Dipole, Da:	2.14
IP(EA), eV:	-8.64(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4S)-4-methylhexyl]-4-(4-octadecoxyphenyl)benzene

Drug info:

PubChemData

Smile

CCCCCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OCCCCCCCC

DOS

IR

Vibrations