Geometry & MOs

Info

ID:	438884
PubChem CID:	135228644
Reduced:	ON3C24H29 (1)
Stoich.:	AB3C24D29 (1)
Weight, g/mol:	236.104859
ΔH_f, kcal/mol:	16.29
Dipole, Da:	9.32
IP(EA), eV:	-8.6(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]butanoate

Drug info:

PubChemData

Smile

CCC1=C(C=C2CC(N3C=C(C(=O)C=C3C2=C1)C(=C)C)C(C)C)/C(=C/N)/C=N

DOS

IR

Vibrations