Geometry & MOs

Info

ID:	298702
PubChem CID:	117654080
Reduced:	NO7C29H33 (1)
Stoich.:	AB7C29D33 (1)
Weight, g/mol:	499.185569
ΔH_f, kcal/mol:	-181.35
Dipole, Da:	5.61
IP(EA), eV:	-9.26(-1.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-(1-benzofuran-5-yl)-7-oxo-6-[4-(2-oxopiperazin-1-yl)phenyl]-4,5-dihydropyrazolo[3,4-c]pyridine-3-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)[C@H](CCCCOC(=O)C1=CC=C(C=C1)[N+](=O)[O-])C(O)(OC2=CC=CC=C2)OC3=CC=CC=C3

DOS

IR

Vibrations