Geometry & MOs

Info

ID:	136057
PubChem CID:	51972088
Reduced:	BrON4H13C17 (1)
Stoich.:	ABC4D13E17 (1)
Weight, g/mol:	368.02727
ΔH_f, kcal/mol:	86.45
Dipole, Da:	3.55
IP(EA), eV:	-9.15(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(9S)-9-(4-bromophenyl)-8-oxo-5,6,7,9-tetrahydro-1H-pyrazolo[5,1-b]quinazoline-3-carbonitrile

Drug info:

PubChemData

Smile

C1CC2=C([C@H](N3C(=N2)C(=CN3)C#N)C4=CC=C(C=C4)Br)C(=O)C1

DOS

IR

Vibrations