Geometry & MOs

Info

ID:	408268
PubChem CID:	135081032
Reduced:	ON2H11C12 (4)
Stoich.:	AB2C11D12 (4)
Weight, g/mol:	166.135765
ΔH_f, kcal/mol:	153.21
Dipole, Da:	6.39
IP(EA), eV:	-7.81(-2.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5S)-4-ethenylnona-1,8-dien-5-ol

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC2=C(C=C1)C3=NC4=C5C=C(C=CC5=C(N4)N=C6C7=C(C=CC(=C7)C=C(C(=O)O)C(=O)O)C(=NC8=NC(=NC2=N3)C9=C8C=C(C=C9)C(C)(C)C)N6)C(C)(C)C

DOS

IR

Vibrations