Geometry & MOs

Info

ID:	310302
PubChem CID:	126578341
Reduced:	OC27H48 (1)
Stoich.:	AB27C48 (1)
Weight, g/mol:	821.816053
ΔH_f, kcal/mol:	-124.33
Dipole, Da:	1.66
IP(EA), eV:	-9.11(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,2,3,4,5,6,7,8,9,10,11,12,13,14-tetradecachloro-1-(3,3-dimethylbutoxy)-15-methylhexadecane

Drug info:

PubChemData

Smile

CC(C)CCCCCCC1=CC(=CC=C1)CCCCCOCCCC(C)(C)C

DOS

IR

Vibrations