Geometry & MOs

Info

ID:	59547
PubChem CID:	24875281
Reduced:	O2N3H17C24 (1)
Stoich.:	A2B3C17D24 (1)
Weight, g/mol:	333.111341
ΔH_f, kcal/mol:	67.06
Dipole, Da:	6.5
IP(EA), eV:	-9.12(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C=O)C2=CC=CC(=C2)CC3=CC4=NC(=O)C5=CC=CC=C5N4N3

DOS

IR

Vibrations