Geometry & MOs

Info

ID:	33486
PubChem CID:	7886704
Reduced:	BrClO2N3H13C17 (1)
Stoich.:	ABC2D3E13F17 (1)
Weight, g/mol:	389.01752
ΔH_f, kcal/mol:	-25.2
Dipole, Da:	2.45
IP(EA), eV:	-9.56(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-bromo-4-oxoquinazolin-3-yl)-N-(5-fluoro-2-methylphenyl)acetamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Cl)CNC(=O)CN2C=NC3=C(C2=O)C=C(C=C3)Br

DOS

IR

Vibrations