Geometry & MOs

Info

ID:	447180
PubChem CID:	135280973
Reduced:	OC14H16 (1)
Stoich.:	AB14C16 (1)
Weight, g/mol:	488.38656
ΔH_f, kcal/mol:	-4.04
Dipole, Da:	1.21
IP(EA), eV:	-9.22(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z,4R,5S,8E,10E)-3-butyl-5-hydroxy-5-(hydroxymethyl)-4-(3-hydroxypropyl)-2,9-dimethyl-11-[(1R,5S)-2,5,6,6-tetramethylcyclohex-2-en-1-yl]undeca-2,8,10-trienal

Drug info:

PubChemData

Smile

C=C1CCC(C2=CC=CC=C12)(C3CC3)O

DOS

IR

Vibrations