Geometry & MOs

Info

ID:	128507
PubChem CID:	51047545
Reduced:	BrFON3H11C16 (1)
Stoich.:	ABCD3E11F16 (1)
Weight, g/mol:	420.139782
ΔH_f, kcal/mol:	6.19
Dipole, Da:	1.8
IP(EA), eV:	-9.26(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-(3,4-difluorophenyl)-8-oxo-N-phenyl-5,6,7,9-tetrahydro-1H-pyrazolo[5,1-b]quinazoline-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=NNC(=C2)C(=O)NC3=CC=C(C=C3)F)Br

DOS

IR

Vibrations