Geometry & MOs

Info

ID:	298795
PubChem CID:	117656906
Reduced:	NO4H11C12 (1)
Stoich.:	AB4C11D12 (1)
Weight, g/mol:	194.094294
ΔH_f, kcal/mol:	-111.67
Dipole, Da:	6.28
IP(EA), eV:	-10.1(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E,6Z)-7-hydroxy-2,3-dimethyl-5-oxonona-3,6,8-trienal

Drug info:

PubChemData

Smile

C/C=C\C=NC1=C(C=CC(=C1)C(=O)O)C(=O)O

DOS

IR

Vibrations