Geometry & MOs

Info

ID:	29346
PubChem CID:	833207
Reduced:	O4H16C17 (1)
Stoich.:	A4B16C17 (1)
Weight, g/mol:	338.011264
ΔH_f, kcal/mol:	-103.14
Dipole, Da:	2.71
IP(EA), eV:	-8.91(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-3-oxobutanoate

Drug info:

PubChemData

Smile

CCOC(=O)/C(=C/C1=CC=C(O1)C2=CC=CC=C2)/C(=O)C

DOS

IR

Vibrations