Geometry & MOs

Info

ID:	59523
PubChem CID:	24875244
Reduced:	ON4H16C18 (1)
Stoich.:	AB4C16D18 (1)
Weight, g/mol:	352.132411
ΔH_f, kcal/mol:	69.33
Dipole, Da:	10.16
IP(EA), eV:	-8.97(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-pyridin-3-ylphenyl)methyl]-1H-pyrazolo[1,5-a]quinazolin-5-one

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=O)N=C3N2NC(=C3)CC4=CC(=CC=C4)CN

DOS

IR

Vibrations