Geometry & MOs

Info

ID:	218918
PubChem CID:	85090157
Reduced:	O5C33H50 (1)
Stoich.:	A5B33C50 (1)
Weight, g/mol:	526.359951
ΔH_f, kcal/mol:	-250.26
Dipole, Da:	6.29
IP(EA), eV:	-9.04(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,2,4-trimethyl-3-[3,7,12,16-tetramethyl-18-(2,3,6-trimethylphenyl)octadeca-1,3,5,7,9,11,13,15-octaen-17-ynyl]benzene

Drug info:

PubChemData

Smile

CC(CCC=C(C)C(=O)O)C1(CCC2(C1(C(C=C3C2=CCC4C3(CCC(C4(C)C)O)C)OC(=O)C)C)C)C

DOS

IR

Vibrations