Geometry & MOs

Info

ID:	60125
PubChem CID:	26675722
Reduced:	FBr2O2N3H10C16 (1)
Stoich.:	AB2C2D3E10F16 (1)
Weight, g/mol:	492.98606
ΔH_f, kcal/mol:	-54.33
Dipole, Da:	2.77
IP(EA), eV:	-9.28(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3,5-bis(trifluoromethyl)phenyl]-2-(6-bromo-4-oxoquinazolin-3-yl)acetamide

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1Br)C(=O)N(C=N2)CC(=O)NC3=C(C=C(C=C3)Br)F

DOS

IR

Vibrations