Geometry & MOs

Info

ID:	33444
PubChem CID:	7886509
Reduced:	BrO2N3H14C17 (1)
Stoich.:	AB2C3D14E17 (1)
Weight, g/mol:	404.98797
ΔH_f, kcal/mol:	-15.27
Dipole, Da:	1.14
IP(EA), eV:	-9.54(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-bromo-4-oxoquinazolin-3-yl)-N-[(4-chlorophenyl)methyl]acetamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations