Geometry & MOs

Info

ID:	148197
PubChem CID:	53787859
Reduced:	O5C20H36 (1)
Stoich.:	A5B20C36 (1)
Weight, g/mol:	358.183021
ΔH_f, kcal/mol:	-278.9
Dipole, Da:	2.23
IP(EA), eV:	-10.21(0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,1-dichlorobutan-2-yloxy)-2,4-bis(2-methylbutan-2-yl)benzene

Drug info:

PubChemData

Smile

CCCCCC(C=C[C@@H]1[C@H](C(CC1O)O)CCCCCCC(=O)O)O

DOS

IR

Vibrations