Geometry & MOs

Info

ID:	303525
PubChem CID:	124489858
Reduced:	BrClON2H18C19 (1)
Stoich.:	ABCD2E18F19 (1)
Weight, g/mol:	404.0291
ΔH_f, kcal/mol:	-4.47
Dipole, Da:	3.68
IP(EA), eV:	-9.46(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-benzyl-2-[(1R)-1-bromo-2-methylpropyl]-7-chloroquinazolin-4-one

Drug info:

PubChemData

Smile

CC(C)[C@@H](C1=NC2=C(C=CC(=C2)Cl)C(=O)N1CC3=CC=CC=C3)Br

DOS

IR

Vibrations