Geometry & MOs

Info

ID:	13305
PubChem CID:	225168
Reduced:	BrON2H7C9 (1)
Stoich.:	ABC2D7E9 (1)
Weight, g/mol:	237.97418
ΔH_f, kcal/mol:	0.14
Dipole, Da:	7.7
IP(EA), eV:	-9.36(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-2-methyl-1H-quinazolin-4-one

Drug info:

PubChemData

Smile

CC1=NC(=O)C2=C(N1)C=CC(=C2)Br

DOS

IR

Vibrations