Geometry & MOs

Info

ID:	401995
PubChem CID:	135053748
Reduced:	BON2H21C25 (1)
Stoich.:	ABC2D21E25 (1)
Weight, g/mol:	218.167065
ΔH_f, kcal/mol:	6.34
Dipole, Da:	2.19
IP(EA), eV:	-7.74(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3Z,5Z)-1-[(2Z,4Z)-hexa-2,4-dienyl]cyclonona-3,5-dien-1-ol

Drug info:

PubChemData

Smile

B1(NC2=CC=CC3=C2C(=CC=C3)N1)/C=C(/C4=CC=CC=C4)\C5=CC=C(C=C5)OC

DOS

IR

Vibrations