Geometry & MOs

Info

ID:	317236
PubChem CID:	126634639
Reduced:	OF5C25H39 (1)
Stoich.:	AB5C25D39 (1)
Weight, g/mol:	288.126263
ΔH_f, kcal/mol:	-351.85
Dipole, Da:	5.15
IP(EA), eV:	-9.8(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-methyl-4-phenyl-9,10-dihydro-1H-benzo[h]quinazolin-2-one

Drug info:

PubChemData

Smile

CCCC(C)CCC(CC)C(C)CCC(CCC)C(OC1=CC(=C(C(=C1)F)F)F)(F)F

DOS

IR

Vibrations