Geometry & MOs

Info

ID:	29056
PubChem CID:	831359
Reduced:	NO2C13H13 (1)
Stoich.:	AB2C13D13 (1)
Weight, g/mol:	292.117155
ΔH_f, kcal/mol:	-41.23
Dipole, Da:	4.52
IP(EA), eV:	-8.54(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (E)-3-(5,7-dimethyl-4,6-dioxopyrazolo[3,4-d]pyrimidin-2-yl)but-2-enoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)C2=CC=C(O2)C

DOS

IR

Vibrations