Geometry & MOs

Info

ID:	57170
PubChem CID:	22395424
Reduced:	O3C18H25 (2)
Stoich.:	A3B18C25 (2)
Weight, g/mol:	274.266051
ΔH_f, kcal/mol:	-248.74
Dipole, Da:	1.59
IP(EA), eV:	-8.86(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-di(heptan-4-yl)benzene

Drug info:

PubChemData

Smile

CCCC(CCC)(C1=CC(=CC=C1)C(CCC)(CCC)C2=C(C=C(C=C2CO)O)CO)C3=C(C=C(C=C3CO)O)CO

DOS

IR

Vibrations