Geometry & MOs

Info

ID:	26804
PubChem CID:	798562
Reduced:	FON3H14C15 (1)
Stoich.:	ABC3D14E15 (1)
Weight, g/mol:	279.137162
ΔH_f, kcal/mol:	-14.96
Dipole, Da:	2.59
IP(EA), eV:	-9.06(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-2-phenyl-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one

Drug info:

PubChemData

Smile

CCCC1=CC(=O)N2C(=N1)C=C(N2)C3=CC=C(C=C3)F

DOS

IR

Vibrations