Geometry & MOs

Info

ID:	59546
PubChem CID:	24875280
Reduced:	FON4H19C25 (1)
Stoich.:	ABC4D19E25 (1)
Weight, g/mol:	379.132077
ΔH_f, kcal/mol:	61.75
Dipole, Da:	4.4
IP(EA), eV:	-8.83(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[(5-oxo-1H-pyrazolo[1,5-a]quinazolin-2-yl)methyl]phenyl]benzaldehyde

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2(C3=C(C=CC(=C3)F)C(=N2)N)C4=CC=CC(=C4)C5=CN=CN=C5

DOS

IR

Vibrations