Geometry & MOs

Info

ID:	33447
PubChem CID:	7886535
Reduced:	BrClO2N3H13C17 (1)
Stoich.:	ABC2D3E13F17 (1)
Weight, g/mol:	404.98797
ΔH_f, kcal/mol:	-32.03
Dipole, Da:	2.77
IP(EA), eV:	-8.96(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)CN2C=NC3=C(C2=O)C=C(C=C3)Br)Cl

DOS

IR

Vibrations