Geometry & MOs

Info

ID:	56129
PubChem CID:	17422074
Reduced:	NOC6H9 (3)
Stoich.:	ABC6D9 (3)
Weight, g/mol:	312.099774
ΔH_f, kcal/mol:	-135.95
Dipole, Da:	5.42
IP(EA), eV:	-8.46(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-3-[(E)-3-(3-prop-2-enoxyphenyl)prop-2-enoyl]pyran-2,4-dione

Drug info:

PubChemData

Smile

CCCN1C(=CC(=C1C)C(=O)CN2C(=O)C(NC2=O)CC(C)C)C

DOS

IR

Vibrations