Geometry & MOs

Info

ID:	231640
PubChem CID:	87574358
Reduced:	N4O5C21H24 (1)
Stoich.:	A4B5C21D24 (1)
Weight, g/mol:	282.219495
ΔH_f, kcal/mol:	-145.41
Dipole, Da:	11.38
IP(EA), eV:	-8.31(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,9-dihydroxy-4,8-dipropylundeca-1,10-dien-6-one

Drug info:

PubChemData

Smile

C1COCCN1C2=C/C(=C/3\C=CC=CC3=O)/C4=C(N2)C(=CN(C4)C(=O)O)NCCO

DOS

IR

Vibrations