Geometry & MOs

Info

ID:	337086
PubChem CID:	127256651
Reduced:	O5H14C16 (1)
Stoich.:	A5B14C16 (1)
Weight, g/mol:	251.115758
ΔH_f, kcal/mol:	-152.65
Dipole, Da:	5.66
IP(EA), eV:	-9.11(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E)-6-ethyl-3-[1-(prop-2-enoxyamino)propylidene]pyran-2,4-dione

Drug info:

PubChemData

Smile

CC(=O)OC1=CC=C(C=C1)/C=C/C2=CC(=CC(=O)O2)OC

DOS

IR

Vibrations