Geometry & MOs

Info

ID:	220825
PubChem CID:	85240131
Reduced:	NO2C17H25 (1)
Stoich.:	AB2C17D25 (1)
Weight, g/mol:	276.12224
ΔH_f, kcal/mol:	-69.98
Dipole, Da:	2.6
IP(EA), eV:	-8.1(0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-ethyl-2-(3-oxo-4,5,6,7-tetrahydro-1H-indazol-2-yl)-1H-pyrimidine-4,6-dione

Drug info:

PubChemData

Smile

CC1(C2CC1C(C(C2)OC)(CNC3=CC=CC=C3)O)C

DOS

IR

Vibrations