Geometry & MOs

Info

ID:	303524
PubChem CID:	124489857
Reduced:	O2C11H16 (1)
Stoich.:	A2B11C16 (1)
Weight, g/mol:	404.0291
ΔH_f, kcal/mol:	-81.84
Dipole, Da:	1.73
IP(EA), eV:	-9.15(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(C=CC=C[C@H]1CC(=O)OC)C

DOS

IR

Vibrations