Geometry & MOs

Info

ID:	180622
PubChem CID:	76661483
Reduced:	O31C56H88 (1)
Stoich.:	A31B56C88 (1)
Weight, g/mol:	362.297351
ΔH_f, kcal/mol:	-1307.88
Dipole, Da:	3.7
IP(EA), eV:	-8.75(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,9,13,17,21-pentamethyldocosa-2,4,6,8,10,12,14,16,20-nonaene

Drug info:

Smile

CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC(O)OCC2C3C(C(C(O2)OC4C(OC(C(C4O)O)OC5C(OC(C(C5O)O)OC6C(OC(C(C6O)O)OC7C(OC(C(C7O)O)OC8C(OC(O3)C(C8O)O)CO)CO)CO)CO)CO)O)O)C)C

DOS

IR

Vibrations