Geometry & MOs

Info

ID:	128508
PubChem CID:	51047671
Reduced:	F2O2N4H18C23 (1)
Stoich.:	A2B2C4D18E23 (1)
Weight, g/mol:	462.145868
ΔH_f, kcal/mol:	-60.31
Dipole, Da:	2.09
IP(EA), eV:	-8.76(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chlorophenyl)-9-(4-hydroxyphenyl)-6,6-dimethyl-8-oxo-1,5,7,9-tetrahydropyrazolo[5,1-b]quinazoline-3-carboxamide

Drug info:

PubChemData

Smile

C1CC2=C(C(N3C(=N2)C(=CN3)C(=O)NC4=CC=CC=C4)C5=CC(=C(C=C5)F)F)C(=O)C1

DOS

IR

Vibrations