Geometry & MOs

Info

ID:	128653
PubChem CID:	51053348
Reduced:	ON4C16H18 (1)
Stoich.:	AB4C16D18 (1)
Weight, g/mol:	336.138639
ΔH_f, kcal/mol:	20.89
Dipole, Da:	5.8
IP(EA), eV:	-8.69(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-(2-fluorophenyl)-6,6-dimethyl-8-oxo-1,5,7,9-tetrahydropyrazolo[5,1-b]quinazoline-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)CNC(=O)C2=CNC3=CC=CC=C32

DOS

IR

Vibrations