Geometry & MOs

Info

ID:	15737
PubChem CID:	448500
Reduced:	O2C43H80 (1)
Stoich.:	A2B43C80 (1)
Weight, g/mol:	628.615832
ΔH_f, kcal/mol:	-250.12
Dipole, Da:	3.41
IP(EA), eV:	-8.28(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3,7,11,15,19,23,27-heptamethyloctacosyl)-2,3-dimethylbenzene-1,4-diol

Drug info:

PubChemData

Smile

CC1=C(C=C(C(=C1C)O)CCC(C)CCCC(C)CCCC(C)CCCC(C)CCCC(C)CCCC(C)CCCC(C)C)O

DOS

IR

Vibrations