Geometry & MOs

Info

ID:	59496
PubChem CID:	24875141
Reduced:	NOH7C9 (3)
Stoich.:	ABC7D9 (3)
Weight, g/mol:	268.132411
ΔH_f, kcal/mol:	36.54
Dipole, Da:	4.92
IP(EA), eV:	-8.59(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-methylpyrrolidin-3-yl)-1H-pyrazolo[1,5-a]quinazolin-5-one

Drug info:

PubChemData

Smile

COC1=CN=CC(=C1)C2=CC(=CC=C2)C3(C4=CC=CC=C4C(=N3)N)C5=CC6=C(C=C5)OCO6

DOS

IR

Vibrations