Geometry & MOs

Info

ID:	43352
PubChem CID:	10321166
Reduced:	NO3F6H15C21 (1)
Stoich.:	AB3C6D15E21 (1)
Weight, g/mol:	442.06808
ΔH_f, kcal/mol:	-367.49
Dipole, Da:	4.36
IP(EA), eV:	-9.0(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-bromophenyl)-2-(4-methylphenyl)-1,2-dihydrobenzo[g]quinazolin-4-one

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C(=O)NC2=C(C=CC3=CC=CC=C32)C(C(F)(F)F)(C(F)(F)F)O

DOS

IR

Vibrations