Geometry & MOs

Info

ID:	328825
PubChem CID:	126728318
Reduced:	NO3H9C10 (1)
Stoich.:	AB3C9D10 (1)
Weight, g/mol:	219.089543
ΔH_f, kcal/mol:	-65.87
Dipole, Da:	4.37
IP(EA), eV:	-9.91(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxy-4-[(3Z)-4-(propylideneamino)penta-1,3-dien-2-yl]cyclobut-3-ene-1,2-dione

Drug info:

PubChemData

Smile

CC1=NC=CC(=C1)C(=C)C(=O)C(=O)O

DOS

IR

Vibrations