Geometry & MOs

Info

ID:	392966
PubChem CID:	135018723
Reduced:	NO2H23C25 (1)
Stoich.:	AB2C23D25 (1)
Weight, g/mol:	376.152203
ΔH_f, kcal/mol:	0.34
Dipole, Da:	3.36
IP(EA), eV:	-8.19(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 3-(5-ethoxy-2-hydroxybenzoyl)-2,4-dimethylidenepentanedioate

Drug info:

PubChemData

Smile

CC1=C(C2=CC=CC=C2N1C)C3C4=CC=CC=C4C5=C3C(=CC(=C5)OC)OC

DOS

IR

Vibrations