Geometry & MOs

Info

ID:	33475
PubChem CID:	7886651
Reduced:	BrO2N3H18C19 (1)
Stoich.:	AB2C3D18E19 (1)
Weight, g/mol:	372.01095
ΔH_f, kcal/mol:	-10.43
Dipole, Da:	8.45
IP(EA), eV:	-9.04(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-3-[2-(4-methoxyphenyl)-2-oxoethyl]quinazolin-4-one

Drug info:

PubChemData

Smile

CC1=CC(=C(N1CC=C)C)C(=O)CN2C=NC3=C(C2=O)C=C(C=C3)Br

DOS

IR

Vibrations