Geometry & MOs

Info

ID:	173102
PubChem CID:	75597241
Reduced:	N2O3C35H54 (1)
Stoich.:	A2B3C35D54 (1)
Weight, g/mol:	556.464417
ΔH_f, kcal/mol:	-177.46
Dipole, Da:	3.67
IP(EA), eV:	-8.75(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5,5-trimethyl-4-[3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13-heptaenyl]cyclohex-3-en-1-ol

Drug info:

PubChemData

Smile

CC(CCC(=O)N1CCN(CC1)CC2=CC=CC=C2)C3CCC4C3(CCC5C4C(CC6C5(CCC(C6)O)C)O)C

DOS

IR

Vibrations