Geometry & MOs

Info

ID:	33445
PubChem CID:	7886527
Reduced:	BrClO2N3H13C17 (1)
Stoich.:	ABC2D3E13F17 (1)
Weight, g/mol:	385.04259
ΔH_f, kcal/mol:	-25.11
Dipole, Da:	1.68
IP(EA), eV:	-9.59(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-bromo-4-oxoquinazolin-3-yl)-N-(2,6-dimethylphenyl)acetamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CNC(=O)CN2C=NC3=C(C2=O)C=C(C=C3)Br)Cl

DOS

IR

Vibrations