Geometry & MOs

Info

ID:	184373
PubChem CID:	77153055
Reduced:	NO2H8C10 (2)
Stoich.:	AB2C8D10 (2)
Weight, g/mol:	336.05219
ΔH_f, kcal/mol:	-95.75
Dipole, Da:	4.23
IP(EA), eV:	-9.0(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-fluorobenzoyl)-7-(trifluoromethyl)-4aH-quinazolin-4-one

Drug info:

PubChemData

Smile

CC(CC1=CN(C2=CC=CC=C21)C(=O)O)N3C(=O)C4=CC=CC=C4C3=O

DOS

IR

Vibrations