Geometry & MOs

Info

ID:	182338
PubChem CID:	76876589
Reduced:	ClO2C12H13 (1)
Stoich.:	AB2C12D13 (1)
Weight, g/mol:	330.99564
ΔH_f, kcal/mol:	-60.5
Dipole, Da:	4.3
IP(EA), eV:	-9.25(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-bromo-2-oxopyridin-1-yl)methyl]-4aH-quinazolin-4-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(=O)C)OCC=CCl

DOS

IR

Vibrations