Geometry & MOs

Info

ID:	29201
PubChem CID:	832301
Reduced:	O2N3C12H17 (1)
Stoich.:	A2B3C12D17 (1)
Weight, g/mol:	314.090272
ΔH_f, kcal/mol:	-57.63
Dipole, Da:	3.26
IP(EA), eV:	-8.45(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-(7-methyl-3,5-dioxo-1H-pyrano[3,2-c]pyrazol-2-yl)benzoate

Drug info:

PubChemData

Smile

C1COCCN1CC(=O)NC2=CC=CC=C2N

DOS

IR

Vibrations