Geometry & MOs

Info

ID:	1474
PubChem CID:	4562
Reduced:	O2C31H46 (1)
Stoich.:	A2B31C46 (1)
Weight, g/mol:	450.349781
ΔH_f, kcal/mol:	-96.39
Dipole, Da:	1.81
IP(EA), eV:	-8.54(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaenyl)benzene-1,4-diol

Drug info:

PubChemData

Smile

CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCC1=C(C=CC(=C1)O)O)C)C)C)C)C

DOS

IR

Vibrations