Geometry & MOs

Info

ID:	393958
PubChem CID:	135022048
Reduced:	NH37C52 (1)
Stoich.:	AB37C52 (1)
Weight, g/mol:	202.156895
ΔH_f, kcal/mol:	215.58
Dipole, Da:	1.65
IP(EA), eV:	-8.6(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,8S,9S)-undec-10-ene-2,8,9-triol

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C2=CC=CC3=C2C(=C(C(=C3C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6)C7=CC=CC=C7)C8=CC=CC=C8)C9=CC=CC=C9

DOS

IR

Vibrations